1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile

C18H31NO — CID 114795078

IUPAC1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C(C)(O)C2CCCCC2)CC1
InChIInChI=1S/C18H31NO/c1-3-7-15-10-12-18(14-19,13-11-15)17(2,20)16-8-5-4-6-9-16/h15-16,20H,3-13H2,1-2H3
InChIKeyHXYPKWXRYCYHCW-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.82
Rot. Bonds4

About 1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile

1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 114795078) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
PubChem CID114795078
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C(C)(O)C2CCCCC2)CC1
InChIInChI=1S/C18H31NO/c1-3-7-15-10-12-18(14-19,13-11-15)17(2,20)16-8-5-4-6-9-16/h15-16,20H,3-13H2,1-2H3
InChIKeyHXYPKWXRYCYHCW-UHFFFAOYSA-N
XLogP4.82
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile
CID 79130626
1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile
CID 114795076
1-[1-(2-bromophenyl)-1-hydroxyethyl]-4-propylcyclohexane-1-carbonitrile
CID 79116035
1-(1-hydroxy-1-thiophen-2-ylethyl)-4-propylcyclohexane-1-carbonitrile
CID 79130211
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
1-(1-hydroxy-1-piperidin-3-ylethyl)cyclopropane-1-carbonitrile
CID 130513199
1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800
propylcyclotetradecane
CID 90991550
3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile
CID 79130907
1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
CID 65089014
1,1-dimethyl-4-propylcyclotridecane
CID 123608299

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile (CID 114795078) is 1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(C(C)(O)C2CCCCC2)CC1.
What is the InChIKey of 1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is HXYPKWXRYCYHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-7-15-10-12-18(14-19,13-11-15)17(2,20)16-8-5-4-6-9-16/h15-16,20H,3-13H2,1-2H3.
What are the key properties of 1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile?
1-(1-cyclohexyl-1-hydroxyethyl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 277.45 g/mol, XLogP of 4.82, 4 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)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 114795078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).