N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine

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Basic information

CAS: 17232-87-0
Standard SMILES: CN(C)CCCCNCCCCN(C)C
InChIKey: QUMHDXJIDPCZCB-UHFFFAOYSA-N
Molecular formula: C12H29N3
Average molar mass: 215.38 g/mol
Monoisotopic mass: 215.23614794

Overview

N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine has been reported in Solanum carolinense, Solanum wendlandii, and other organisms with data available.

Names & identifiers

Preferred name: N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine
IUPAC: N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine
English name: N'-[4-(Dimethylamino)butyl]-N,N-dimethyl-1,4-butanediamine
Molecular weight: 0

Names & synonyms

N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine17232-87-0N'-[4-(Dimethylamino)butyl]-N,N-dimethyl-1,4-butanediamineDibutylamine, 4,4'-bis(dimethylamino)-SCHEMBL756103SCHEMBL5932937DTXSID70338180QUMHDXJIDPCZCB-UHFFFAOYSA-N(4-{[4-(DIMETHYLAMINO)BUTYL]AMINO}BUTYL)DIMETHYLAMINEN/'-[4-(Dimethylamino)butyl]-N,N-dimethyl-1,4-butanediamine1,4-Butanediamine, N'-[4-(dimethylamino)butyl]-N,N-dimethyl-(4,4'-bis(dimethylamino)dibutylamine)

Show more names

4,4'-Bis(dimethylamino)dibutylamine, 8CI2,7,12-Triazatridecane, 2,12-dimethyl-N'-[4-(Dimethylamino)butyl]-N,N-dimethyl-1,4-butanediamine, 9CIN~4~-[4-(Dimethylamino)butyl]-N~1~,N~1~-dimethylbutane-1,4-diamine

Database identifiers

CAS: 17232-87-0
PubChem CID: 547280
DTXSID: DTXSID70338180
Nikkaji: J14.323E

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 15
Formal charge: 0
Complexity: 110

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Related reactions

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Compound notes

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