1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile

C16H27NO — CID 114795076

IUPAC1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(C)(O)C2CCCCC2)C1
InChIInChI=1S/C16H27NO/c1-3-13-9-10-16(11-13,12-17)15(2,18)14-7-5-4-6-8-14/h13-14,18H,3-11H2,1-2H3
InChIKeyCYNKSPCAXOEING-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.04
Rot. Bonds3

About 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile

1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile (PubChem CID 114795076) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile
PubChem CID114795076
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(C)(O)C2CCCCC2)C1
InChIInChI=1S/C16H27NO/c1-3-13-9-10-16(11-13,12-17)15(2,18)14-7-5-4-6-8-14/h13-14,18H,3-11H2,1-2H3
InChIKeyCYNKSPCAXOEING-UHFFFAOYSA-N
XLogP4.04
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
CID 114795078
1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
CID 79130626
3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile
CID 79130907
3-ethyl-1-(2-hydroxybutan-2-yl)cyclohexane-1-carbonitrile
CID 79131191
3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclohexane-1-carbonitrile
CID 79130750
1-[1-(2-chlorophenyl)-1-hydroxyethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79129155
3-ethyl-1-[1-(2-fluorophenyl)-1-hydroxyethyl]cyclopentane-1-carbonitrile
CID 79130913
1-[1-(3-bromophenyl)-1-hydroxyethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79130290
3-ethyl-1-(2-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carbonitrile
CID 79132170
4-ethyl-1-(4-hydroxy-2,6-dimethylheptan-4-yl)cyclohexane-1-carbonitrile
CID 114867132
1-(2-hydroxybutan-2-yl)-4-methylcyclohexane-1-carbonitrile
CID 79129884
1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile
CID 130513199

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile (CID 114795076) is 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile is CCC1CCC(C#N)(C(C)(O)C2CCCCC2)C1.
What is the InChIKey of 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile?
The InChIKey is CYNKSPCAXOEING-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-13-9-10-16(11-13,12-17)15(2,18)14-7-5-4-6-8-14/h13-14,18H,3-11H2,1-2H3.
What are the key properties of 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile?
1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 114795076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).