2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile

C11H20N2O — CID 65116354

IUPAC2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile
SMILESCC1CCC(O)(CNC(C)C#N)CC1
InChIInChI=1S/C11H20N2O/c1-9-3-5-11(14,6-4-9)8-13-10(2)7-12/h9-10,13-14H,3-6,8H2,1-2H3
InChIKeyMORQSDFKTUHYBH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.43
Rot. Bonds3

About 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile

2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile (PubChem CID 65116354) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile
PubChem CID65116354
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile
SMILESCC1CCC(O)(CNC(C)C#N)CC1
InChIInChI=1S/C11H20N2O/c1-9-3-5-11(14,6-4-9)8-13-10(2)7-12/h9-10,13-14H,3-6,8H2,1-2H3
InChIKeyMORQSDFKTUHYBH-UHFFFAOYSA-N
XLogP1.43
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile 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

2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 113489875
3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
1-[(heptan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115663
5-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 107706669
N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide
CID 65116446
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
4-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 43809248
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]cycloheptane-1-carbonitrile
CID 65116579
4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol
CID 79040662
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
1-(iodomethyl)-4-methylcyclohexan-1-ol
CID 114775211

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile?
The IUPAC name of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile (CID 65116354) is 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile.
What is the SMILES notation for 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile?
The canonical SMILES for 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile is CC1CCC(O)(CNC(C)C#N)CC1.
What is the InChIKey of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile?
The InChIKey is MORQSDFKTUHYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-3-5-11(14,6-4-9)8-13-10(2)7-12/h9-10,13-14H,3-6,8H2,1-2H3.
What are the key properties of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile?
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile is sourced from PubChem (CID 65116354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).