Molecule

Cyclohexylamine

AlkaPlorer ID: AK006440

Synonym: Cyclohexanamine, Aminocyclohexane, Hexahydroaniline

IUPAC Name: cyclohexanamine

SMILES: NC1CCCCC1

InChI: InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2

InChIKey: PAFZNILMFXTMIY-UHFFFAOYSA-N

PubChem CID: 7965

CAS: 108-91-8

LOTUS: LTS0253345

SuperNatural Ⅲ: SN0279920

NPASS: NPC8576

COCONUT: CNP0149842

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Mus musculus	Mus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota

Molecule Weight: 99.177

TPSA？: 26.02

MolLogP？: 1.2778

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Solute carrier family 22 member 1	Activity	544.0	uM	10.1124/mol.63.3.489
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402

AKRT ID	Reaction	Reaction Link ID
AKRT017482	NC1CCCCC1>>O=C1CCCCC1	R02233
AKRT017483	NC1CCCCC1>>O=S(=O)(O)NC1CCCCC1	CYCLAMATE-SULFOHYDROLASE-RXN
AKRT023526	O=C1CCCCC1.N>>NC1CCCCC1	retrobiocat_606
AKRT023531	O=C1CCCCC1>>NC1CCCCC1	RXN-22960
AKRT023712	O=CNC1CCCCC1>>NC1CCCCC1	R06940
AKRT023887	O=S(=O)(O)NC1CCCCC1>>NC1CCCCC1	R02564