N-butyl-N-[(3,3-dimethyloxiran-2-yl)methyl]butan-1-amine

HCID 4976996

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Basic information

CAS: 88091-96-7
Standard SMILES: CCCCN(CCCC)CC1OC1(C)C
InChIKey: KVBGOVRYRMFEQS-UHFFFAOYSA-N
Molecular formula: C13H27NO
Average molar mass: 213.36 g/mol
Monoisotopic mass: 213.20926449

Names & identifiers

Preferred name: N-butyl-N-[(3,3-dimethyloxiran-2-yl)methyl]butan-1-amine
IUPAC: N-butyl-N-[(3,3-dimethyloxiran-2-yl)methyl]butan-1-amine

Names & synonyms

N-butyl-N-[(3,3-dimethyloxiran-2-yl)methyl]butan-1-amineN-butyl-N-((3,3-dimethyloxiran-2-yl)methyl)butan-1-amine88091-96-7DTXSID101252304STL563697AKOS030510779N,N-Dibutyl-3,3-dimethyl-2-oxiranemethanamine

Database identifiers

CAS: 88091-96-7
PubChem CID: 4976996
DTXSID: DTXSID101252304

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 171

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