Molecule

Ethylamine

AlkaPlorer ID: AK298009

Synonym: Ethanamine, FEMA 4236

IUPAC Name: ethylazanium

Structure

SMILES: CC[NH3+]

InChI: InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3/p+1

InChIKey: QUSNBJAOOMFDIB-UHFFFAOYSA-O

Reference

α-Glucosidase Inhibitors from Vauquelinia corymbosa

PubChem CID: 3427831

CAS: 75-04-7

SuperNatural Ⅲ: SN0315749

NPASS: NPC265319

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Brevibacterium linens	Brevibacterium	Brevibacteriaceae	Micrococcales	Actinomycetes	Actinomycetota	None	Bacteria
Candida albicans	Candida	Debaryomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota
None	Clostridium	Clostridiaceae	Eubacteriales	Clostridia	Bacillota	None	Bacteria
Arctium lappa	Arctium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Triglochin maritima	Triglochin	Juncaginaceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Viverra zibetha	Viverra	Viverridae	Carnivora	Mammalia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 46.093

TPSA？: 27.64

MolLogP？: -0.7518

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	ADMET	Binding energy	2.2	kCal mol-1	10.1021/jm00378a021
None	No relevant target	LogP	-1.77	None	10.1021/jm00390a002
None	No relevant target	LogP	-1.3	None	10.1021/jm00390a002
None	No relevant target	LogP	-1.27	None	10.1021/jm00390a002
None	No relevant target	LogP	-1.18	None	10.1021/jm00390a002
None	No relevant target	LogP	-0.35	None	10.1021/jm00390a002
None	No relevant target	LogP	-0.3	None	10.1021/jm00390a002
None	No relevant target	LogP	-0.13	None	10.1021/jm00381a013
None	No relevant target	Log PNalk	-1.77	None	10.1021/jm048980b
None	No relevant target	Log S	2.06	None	10.1016/s0960-894x(00)00172-4
None	No relevant target	pKa	10.7	None	10.1007/s11095-013-1232-z
None	No relevant target	pKa	10.7	None	10.1021/jm800219f
None	No relevant target	pKa	nan	None	10.1021/jm00075a019

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT007065	CC=O>>CCN	enzymemap_22352
AKRT007889	CCCCCC(=O)NCC>>CCN	enzymemap_77245
AKRT009620	CCN(O)CC>>CCN	RXN-13594
AKRT009621	CCN.NC(=O)CC[C@H](N)C(=O)O>>CCNC(=O)CC[C@H](N)C(=O)O	enzymemap_76876
AKRT009622	CCN.N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O>>CCNC(=O)CC[C@H](N)C(=O)O	enzymemap_32845
AKRT009623	CCN.N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O>>CCNC(=O)CC[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1	None
AKRT009624	CCN.N[C@@H](CCC(=O)O)C(=O)O>>CCNC(=O)CC[C@H](N)C(=O)O	THEANINE-HYDROLASE-RXN
AKRT009625	CCN.N[C@@H](CCC(=O)O)C(=O)O>>CCN[C@@H](CCC(=O)O)C(=O)O	enzymemap_26327
AKRT009628	CCN=c1[nH]c(=N)[nH]c(=O)[nH]1>>CCN	enzymemap_79303
AKRT009631	CCN=c1[nH]c(=O)[nH]c(=NC(C)C)[nH]1>>CC(C)N=c1[nH]c(=O)[nH]c(=O)[nH]1.CCN	None
AKRT009632	CCN=c1[nH]c(=O)[nH]c(=NC(C)C)[nH]1>>CCN	enzymemap_79297
AKRT009635	CCN=c1[nH]c(=O)[nH]c(=O)[nH]1>>CCN	enzymemap_79290
AKRT009638	CCN>>CC=O	RXN-13592
AKRT009639	CCNC(=N)N>>CCN	enzymemap_78946
AKRT009641	CCNC(=O)CC[C@@H](N)C(=O)O>>CCN	enzymemap_76831
AKRT009643	CCNC(=O)CC[C@H](N)C(=O)O>>CCN	enzymemap_33435
AKRT009649	CCNC=O>>CCN	enzymemap_77635
AKRT009652	CCNCC(=O)O>>CCN	enzymemap_22029
AKRT009653	CCNCC(=O)O>>CCN.O=CC(=O)O	None
AKRT009659	CCNCC>>CCN	enzymemap_12089
AKRT009664	CCN[C@@H](CC(=O)O)C(=O)O>>CCN	enzymemap_85580
AKRT009678	CCNc1nc(N)[nH]c(=O)n1>>CCN	enzymemap_79303
AKRT009683	CCNc1nc(NC(C)C)[nH]c(=O)n1>>CCN	enzymemap_79298
AKRT009687	CCNc1nc(O)nc(NC(C)C)n1>>CCN	R122-RXN
AKRT009689	CCNc1nc(O)nc(O)n1>>CCN	R05573
AKRT013653	C[C@H](N)C(=O)O>>CCN	enzymemap_81529
AKRT018327	NCCS(=O)(=O)O>>CCN	enzymemap_42884