6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile

C16H31N3 — CID 106709324

IUPAC6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
SMILESCN(CCNCCCCC(C)(C)C#N)C1CCCC1
InChIInChI=1S/C16H31N3/c1-16(2,14-17)10-6-7-11-18-12-13-19(3)15-8-4-5-9-15/h15,18H,4-13H2,1-3H3
InChIKeyDRCQEFFGKNJKRA-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.17
Rot. Bonds9

About 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile

6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile (PubChem CID 106709324) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
PubChem CID106709324
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
SMILESCN(CCNCCCCC(C)(C)C#N)C1CCCC1
InChIInChI=1S/C16H31N3/c1-16(2,14-17)10-6-7-11-18-12-13-19(3)15-8-4-5-9-15/h15,18H,4-13H2,1-3H3
InChIKeyDRCQEFFGKNJKRA-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 113326351
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
CID 106709849
5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
CID 65257781
4-[azepan-4-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 107173206
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile
CID 106709352
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573
6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711210
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile (CID 106709324) is 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile is CN(CCNCCCCC(C)(C)C#N)C1CCCC1.
What is the InChIKey of 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile?
The InChIKey is DRCQEFFGKNJKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(2,14-17)10-6-7-11-18-12-13-19(3)15-8-4-5-9-15/h15,18H,4-13H2,1-3H3.
What are the key properties of 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile?
6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).