4-(dimethylamino)butanenitrile;hydrobromide

C6H13BrN2 — CID 46786342

IUPAC4-(dimethylamino)butanenitrile;hydrobromide
SMILESBr.CN(C)CCCC#N
InChIInChI=1S/C6H12N2.BrH/c1-8(2)6-4-3-5-7;/h3-4,6H2,1-2H3;1H
InChIKeyCUVSZVSCROTRCJ-UHFFFAOYSA-N
MW193.09 g/mol
LogP1.43
Rot. Bonds3

About 4-(dimethylamino)butanenitrile;hydrobromide

4-(dimethylamino)butanenitrile;hydrobromide (PubChem CID 46786342) has the molecular formula C6H13BrN2 and a molecular weight of 193.09 g/mol. Its IUPAC name is 4-(dimethylamino)butanenitrile;hydrobromide.

Molecular Properties

Compound Name4-(dimethylamino)butanenitrile;hydrobromide
PubChem CID46786342
Molecular FormulaC6H13BrN2
Molecular Weight193.09 g/mol
Exact Mass192.03
IUPAC Name4-(dimethylamino)butanenitrile;hydrobromide
SMILESBr.CN(C)CCCC#N
InChIInChI=1S/C6H12N2.BrH/c1-8(2)6-4-3-5-7;/h3-4,6H2,1-2H3;1H
InChIKeyCUVSZVSCROTRCJ-UHFFFAOYSA-N
XLogP1.43
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
3-[4-[2-cyanoethyl(methyl)amino]butyl-methylamino]propanenitrile
CID 71396739
CID 6328236
CID 6328236
6-(dimethylamino)-2-methylhexanenitrile
CID 54049734
dipotassium;3-(dimethylamino)propanenitrile;sulfate
CID 174389046
5-[methoxy(methyl)amino]pentanenitrile
CID 118335786
6-[2-(dimethylamino)ethyl]-11-hydroxy-8-(3-hydroxypropyl)undecanenitrile
CID 173201609
henicosanedinitrile
CID 87345062
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
N,N-dimethylacetamide;hexanedinitrile
CID 163600575
5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
CID 55028946

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butanenitrile;hydrobromide?
The IUPAC name of 4-(dimethylamino)butanenitrile;hydrobromide (CID 46786342) is 4-(dimethylamino)butanenitrile;hydrobromide.
What is the SMILES notation for 4-(dimethylamino)butanenitrile;hydrobromide?
The canonical SMILES for 4-(dimethylamino)butanenitrile;hydrobromide is Br.CN(C)CCCC#N.
What is the InChIKey of 4-(dimethylamino)butanenitrile;hydrobromide?
The InChIKey is CUVSZVSCROTRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.BrH/c1-8(2)6-4-3-5-7;/h3-4,6H2,1-2H3;1H.
What are the key properties of 4-(dimethylamino)butanenitrile;hydrobromide?
4-(dimethylamino)butanenitrile;hydrobromide has a molecular weight of 193.09 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butanenitrile;hydrobromide is sourced from PubChem (CID 46786342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).