6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile

C15H28N2 — CID 106709498

IUPAC6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
SMILESC[C@H](NCCCCC(C)(C)C#N)C1CCCC1
InChIInChI=1S/C15H28N2/c1-13(14-8-4-5-9-14)17-11-7-6-10-15(2,3)12-16/h13-14,17H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyJOTMXWLYFLOTHL-ZDUSSCGKSA-N
MW236.40 g/mol
LogP3.87
Rot. Bonds7

About 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile

6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile (PubChem CID 106709498) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
PubChem CID106709498
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
SMILESC[C@H](NCCCCC(C)(C)C#N)C1CCCC1
InChIInChI=1S/C15H28N2/c1-13(14-8-4-5-9-14)17-11-7-6-10-15(2,3)12-16/h13-14,17H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyJOTMXWLYFLOTHL-ZDUSSCGKSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.87
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

4-[[(1R)-1-cyclopentylethyl]amino]butanenitrile
CID 81388332
2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile
CID 103925508
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
5-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456
N-(1-cyclopentylethyl)hex-5-yn-1-amine
CID 115893745
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
3-[[(1R)-1-cycloheptylethyl]amino]propanenitrile
CID 81393320
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile (CID 106709498) is 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile is C[C@H](NCCCCC(C)(C)C#N)C1CCCC1.
What is the InChIKey of 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile?
The InChIKey is JOTMXWLYFLOTHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(14-8-4-5-9-14)17-11-7-6-10-15(2,3)12-16/h13-14,17H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile?
6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile has a molecular weight of 236.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).