2-Ethyl-3-(methylamino)hexanenitrile

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Basic information

CAS: 14339-29-8
Standard SMILES: CCCC(NC)C(C#N)CC
InChIKey: XWOGGMHXORDTGR-UHFFFAOYSA-N
Molecular formula: C9H18N2
Average molar mass: 154.25 g/mol
Monoisotopic mass: 154.14699858

Names & identifiers

Preferred name: 2-Ethyl-3-(methylamino)hexanenitrile
IUPAC: 2-ethyl-3-(methylamino)hexanenitrile
English name: 2-Ethyl-3-(methylamino)hexanenitrile
Molecular weight: 0

Names & synonyms

2-ethyl-3-(methylamino)hexanenitrile14339-29-8DTXSID30931858RefChem:1063034DTXCID6013605602-Ethyl-3-(N-methylamino)hexanonitrileBRN 2349599HEXANONITRILE, 2-ETHYL-3-(N-METHYLAMINO)-

Database identifiers

CAS: 14339-29-8
PubChem CID: 26636
DTXSID: DTXSID30931858
Nikkaji: J49.429A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 134

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Compound notes

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