6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile

C16H30N2 — CID 106709376

IUPAC6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile
SMILESCCC1CCC(NCCCCC(C)(C)C#N)C1C
InChIInChI=1S/C16H30N2/c1-5-14-8-9-15(13(14)2)18-11-7-6-10-16(3,4)12-17/h13-15,18H,5-11H2,1-4H3
InChIKeyAUWGGMRAECIJJZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.12
Rot. Bonds7

About 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile

6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile (PubChem CID 106709376) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile
PubChem CID106709376
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile
SMILESCCC1CCC(NCCCCC(C)(C)C#N)C1C
InChIInChI=1S/C16H30N2/c1-5-14-8-9-15(13(14)2)18-11-7-6-10-16(3,4)12-17/h13-15,18H,5-11H2,1-4H3
InChIKeyAUWGGMRAECIJJZ-UHFFFAOYSA-N
XLogP4.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine
CID 64920630
5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2,2-dimethylhexanenitrile
CID 106709210
3-[(5-cyano-5-methylhexyl)amino]cyclohexane-1-carboxylic acid
CID 106713203
2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide
CID 64921013
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
5-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456
3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine
CID 114333391
6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile
CID 114117991
6-(3-ethylpentan-3-ylamino)-2,2-dimethylhexanenitrile
CID 106709382
2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile
CID 79358554
6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
CID 106709498

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile (CID 106709376) is 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile is CCC1CCC(NCCCCC(C)(C)C#N)C1C.
What is the InChIKey of 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile?
The InChIKey is AUWGGMRAECIJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-14-8-9-15(13(14)2)18-11-7-6-10-16(3,4)12-17/h13-15,18H,5-11H2,1-4H3.
What are the key properties of 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile?
6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile has a molecular weight of 250.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).