4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile

C18H32N2O — CID 79123843

IUPAC4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
SMILESCCCN1CCCC(O)(C2(C#N)CCC(CC)CC2)CC1
InChIInChI=1S/C18H32N2O/c1-3-12-20-13-5-8-18(21,11-14-20)17(15-19)9-6-16(4-2)7-10-17/h16,21H,3-14H2,1-2H3
InChIKeyPJIOBNPCFLVVTA-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.72
Rot. Bonds4

About 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile

4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile (PubChem CID 79123843) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
PubChem CID79123843
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
SMILESCCCN1CCCC(O)(C2(C#N)CCC(CC)CC2)CC1
InChIInChI=1S/C18H32N2O/c1-3-12-20-13-5-8-18(21,11-14-20)17(15-19)9-6-16(4-2)7-10-17/h16,21H,3-14H2,1-2H3
InChIKeyPJIOBNPCFLVVTA-UHFFFAOYSA-N
XLogP3.72
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-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

4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
3-(4-hydroxy-1-propylazepan-4-yl)oxane-3-carbonitrile
CID 103715854
4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
CID 79130957
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
4-ethyl-1-(1-hydroxy-4-propan-2-ylcycloheptyl)cyclohexane-1-carbonitrile
CID 79123865
3-(4-hydroxy-1-propylpiperidin-4-yl)oxolane-3-carbonitrile
CID 79131371
4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile
CID 81468574
1-(1-ethyl-4-hydroxyazepan-4-yl)-3-methylcyclohexane-1-carbonitrile
CID 79131642
1-(4-hydroxyoxepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 79128935
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
4-hydroxy-1-propylpiperidine-4-carbonitrile
CID 43436625

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile (CID 79123843) is 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile is CCCN1CCCC(O)(C2(C#N)CCC(CC)CC2)CC1.
What is the InChIKey of 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile?
The InChIKey is PJIOBNPCFLVVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-3-12-20-13-5-8-18(21,11-14-20)17(15-19)9-6-16(4-2)7-10-17/h16,21H,3-14H2,1-2H3.
What are the key properties of 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile?
4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79123843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).