2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile

C17H32N2 — CID 106709352

IUPAC2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile
SMILESCC1CCCC(CCNCCCCC(C)(C)C#N)C1
InChIInChI=1S/C17H32N2/c1-15-7-6-8-16(13-15)9-12-19-11-5-4-10-17(2,3)14-18/h15-16,19H,4-13H2,1-3H3
InChIKeyKXDCJRONJGETMR-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.51
Rot. Bonds8

About 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile

2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile (PubChem CID 106709352) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile
PubChem CID106709352
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile
SMILESCC1CCCC(CCNCCCCC(C)(C)C#N)C1
InChIInChI=1S/C17H32N2/c1-15-7-6-8-16(13-15)9-12-19-11-5-4-10-17(2,3)14-18/h15-16,19H,4-13H2,1-3H3
InChIKeyKXDCJRONJGETMR-UHFFFAOYSA-N
XLogP4.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
CID 106709324
2-[4-[(1R,3R)-3-methylcyclohexyl]butylamino]ethanethiol
CID 99867871
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 113270371
2,2-dimethyl-6-(3-methylcyclohexyl)sulfonylhexanenitrile
CID 106714667
N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine
CID 103179043
3-[(5-cyano-5-methylhexyl)amino]cyclohexane-1-carboxylic acid
CID 106713203
2-[4-(3-methylcyclohexyl)butylamino]ethanethiol;sulfuric acid
CID 71435984
6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile
CID 106709284

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile (CID 106709352) is 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile is CC1CCCC(CCNCCCCC(C)(C)C#N)C1.
What is the InChIKey of 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile?
The InChIKey is KXDCJRONJGETMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-15-7-6-8-16(13-15)9-12-19-11-5-4-10-17(2,3)14-18/h15-16,19H,4-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile?
2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile has a molecular weight of 264.46 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile is sourced from PubChem (CID 106709352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).