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name Structure Reference Source Properties Activities Metabolism

2-Methyl-1-propylamine

AlkaPlorer ID: AK306271

Synonym: 2-Methyl-1-propanamine, Isobutylamine, Valamine, FEMA 4239

IUPAC Name: 2-methylpropan-1-amine

Structure

SMILES: CC(C)CN

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InChI: InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3

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InChIKey: KDSNLYIMUZNERS-UHFFFAOYSA-N

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Reference

PubChem CID: 6558

CAS: 78-81-9

SuperNatural Ⅲ: SN0182840

Source

Species Genus Family Order Class Phylum Kingdom Domain
Sambucus nigra Sambucus Adoxaceae Dipsacales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 73.139

TPSA？: 26.02

MolLogP？: 0.6011000000000001

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002006 CC(=O)C(=O)O.CC(C)CN>>CC(C)C=O RXN-13670
AKRT005413 CC(C)C=O.C[C@H](N)C(=O)O>>CC(C)CN RXN-13670
AKRT005551 CC(C)CN=c1[nH]c(=O)[nH]c(=NCC(C)C)[nH]1>>CC(C)CN enzymemap_81316
AKRT005552 CC(C)CN>>CC(C)C=O enzymemap_22271
AKRT005553 CC(C)CN>>CC(C)CNO RXN-18743
AKRT005554 CC(C)CNC(=O)CC[C@H](N)C(=O)O>>CC(C)CN enzymemap_77782
AKRT005556 CC(C)CNc1nc(NCC(C)C)[nH]c(=O)n1>>CC(C)CN enzymemap_81316
AKRT006320 CC(C)[C@H](N)C(=O)O>>CC(C)CN VALINE-DECARBOXYLASE-RXN