6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile

C16H31N3 — CID 106710145

IUPAC6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
SMILESCN(CCCCC(C)(C)C#N)CC1(N(C)C)CCC1
InChIInChI=1S/C16H31N3/c1-15(2,13-17)9-6-7-12-19(5)14-16(18(3)4)10-8-11-16/h6-12,14H2,1-5H3
InChIKeyAIABPPQAADDTEM-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.12
Rot. Bonds8

About 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile

6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile (PubChem CID 106710145) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
PubChem CID106710145
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
SMILESCN(CCCCC(C)(C)C#N)CC1(N(C)C)CCC1
InChIInChI=1S/C16H31N3/c1-15(2,13-17)9-6-7-12-19(5)14-16(18(3)4)10-8-11-16/h6-12,14H2,1-5H3
InChIKeyAIABPPQAADDTEM-UHFFFAOYSA-N
XLogP3.12
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile
CID 105416604
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile
CID 83121516
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
CID 105416596
6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710028
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269
6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 106709964
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
CID 105414329
2,2-dimethyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 106709854
methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate
CID 105416856
4-[(5-cyano-5-methylhexyl)-methylamino]butanoic acid
CID 106713187
2,2-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]hexanenitrile
CID 106709869

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile (CID 106710145) is 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile is CN(CCCCC(C)(C)C#N)CC1(N(C)C)CCC1.
What is the InChIKey of 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile?
The InChIKey is AIABPPQAADDTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-15(2,13-17)9-6-7-12-19(5)14-16(18(3)4)10-8-11-16/h6-12,14H2,1-5H3.
What are the key properties of 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile?
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106710145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).