1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile

C13H22N2O — CID 79126868

IUPAC1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C2(O)CNC2)CC1
InChIInChI=1S/C13H22N2O/c1-2-3-11-4-6-12(8-14,7-5-11)13(16)9-15-10-13/h11,15-16H,2-7,9-10H2,1H3
InChIKeyFPSXGEVMEQQAMU-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.82
Rot. Bonds3

About 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile

1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 79126868) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile
PubChem CID79126868
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C2(O)CNC2)CC1
InChIInChI=1S/C13H22N2O/c1-2-3-11-4-6-12(8-14,7-5-11)13(16)9-15-10-13/h11,15-16H,2-7,9-10H2,1H3
InChIKeyFPSXGEVMEQQAMU-UHFFFAOYSA-N
XLogP1.82
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-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

1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
1-(4-hydroxyoxepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 79128935
1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79123861
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
1-(1-hydroxy-2,3-dimethylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79131967
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1-(2-ethyl-1-hydroxycyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 79132964
2-(1-hydroxy-4-propylcyclohexyl)-1,3-dihydroindene-2-carbonitrile
CID 79115116
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800
1-(dimethylamino)-4-propylcyclohexane-1-carbonitrile
CID 60917267

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile (CID 79126868) is 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(C2(O)CNC2)CC1.
What is the InChIKey of 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is FPSXGEVMEQQAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-11-4-6-12(8-14,7-5-11)13(16)9-15-10-13/h11,15-16H,2-7,9-10H2,1H3.
What are the key properties of 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile?
1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-3-yl)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79126868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).