3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile

C14H25NO — CID 79136524

IUPAC3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(O)C(CC)CC)C1
InChIInChI=1S/C14H25NO/c1-4-11-7-8-14(9-11,10-15)13(16)12(5-2)6-3/h11-13,16H,4-9H2,1-3H3
InChIKeyGHKYXSBLNYCKRQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.50
Rot. Bonds5

About 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile

3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile (PubChem CID 79136524) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile
PubChem CID79136524
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(O)C(CC)CC)C1
InChIInChI=1S/C14H25NO/c1-4-11-7-8-14(9-11,10-15)13(16)12(5-2)6-3/h11-13,16H,4-9H2,1-3H3
InChIKeyGHKYXSBLNYCKRQ-UHFFFAOYSA-N
XLogP3.50
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile 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-1-(3-hydroxybutan-2-yl)cyclopentane-1-carbonitrile
CID 130514272
3-ethyl-1-(1-hydroxypentyl)cyclopentane-1-carbonitrile
CID 79131475
3-ethyl-1-[hydroxy(pyridin-4-yl)methyl]cyclopentane-1-carbonitrile
CID 79137293
1-(2-ethyl-1-hydroxybutyl)cycloheptane-1-carbonitrile
CID 79136082
3-ethyl-1-[hydroxy-(5-methylfuran-2-yl)methyl]cyclopentane-1-carbonitrile
CID 79136468
3-ethyl-1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carbonitrile
CID 104772068
1-[cyclohexyl(hydroxy)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 79137432
1-[(2,4-difluorophenyl)-hydroxymethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136634
3-(2-ethyl-1-hydroxybutyl)oxolane-3-carbonitrile
CID 79137340
3-ethyl-1-[hydroxy-[3-(methoxymethyl)phenyl]methyl]cyclopentane-1-carbonitrile
CID 79127886
1-[1-benzothiophen-3-yl(hydroxy)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136460
4-ethyl-1-[hydroxy-(4-methylphenyl)methyl]cyclohexane-1-carbonitrile
CID 79137420

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile (CID 79136524) is 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile is CCC1CCC(C#N)(C(O)C(CC)CC)C1.
What is the InChIKey of 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile?
The InChIKey is GHKYXSBLNYCKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-11-7-8-14(9-11,10-15)13(16)12(5-2)6-3/h11-13,16H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile?
3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile has a molecular weight of 223.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-ethyl-1-hydroxybutyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79136524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).