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3-Methyl-1-butylamine

AlkaPlorer ID: AK026939

Synonym: 3-Methyl-1-butanamine, 1-Amino-3-methylbutane, Isoamylamine, Isopentylamine, FEMA 3219

IUPAC Name: 3-methylbutan-1-amine

Structure

SMILES: CC(C)CCN

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InChI: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3

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InChIKey: BMFVGAAISNGQNM-UHFFFAOYSA-N

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Reference

Identification of new volatile amines in grapes and wines

PubChem CID: 7894

CAS: 107-85-7

LOTUS: LTS0224828

SuperNatural Ⅲ: SN0029379

NPASS: NPC83032

COCONUT: CNP0107663

data_source: manually

Source

Species Genus Family Order Class Phylum Kingdom Domain
Coprinopsis atramentaria Coprinopsis Psathyrellaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Grindelia havardii Grindelia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Astragalus oxyphysus Astragalus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Polyscias scutellaria Polyscias Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cuscuta reflexa Cuscuta Convolvulaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plantago depressa Plantago Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rosa rugosa Rosa Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Centaurea glastifolia Centaurea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nephelium maingayi Nephelium Sapindaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Galanthus nivalis Galanthus Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hydrodictyon reticulatum Hydrodictyon Hydrodictyaceae Sphaeropleales Chlorophyceae Chlorophyta Viridiplantae Eukaryota
Prunus dulcis Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cornus officinalis Cornus Cornaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Senecio candollei Senecio Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pyrus pyraster Pyrus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 87.16600000000001

TPSA？: 26.02

MolLogP？: 0.9912

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Leucine aminopeptidase Ki 50000000.0 nM 10.1021/jm00392a014

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005487 CC(C)CC=O>>CC(C)CCN retrobiocat_23
AKRT005547 CC(C)CCN>>CC(C)CC=O enzymemap_22280
AKRT005814 CC(C)C[C@H](N)C(=O)O>>CC(C)CCN enzymemap_81530