cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol

C15H21NO — CID 101116793

IUPACcis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol
SMILESCc1cccc(/C=N/C[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H21NO/c1-12-5-4-6-13(9-12)10-16-11-14-7-2-3-8-15(14)17/h4-6,9-10,14-15,17H,2-3,7-8,11H2,1H3/b16-10+/t14-,15+/m1/s1
InChIKeyXHJJXNGKMLJRLH-FJOYCWEKSA-N
MW231.34 g/mol
LogP2.97
Rot. Bonds3

About cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol

cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol (PubChem CID 101116793) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol
PubChem CID101116793
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namecis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol
SMILESCc1cccc(/C=N/C[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H21NO/c1-12-5-4-6-13(9-12)10-16-11-14-7-2-3-8-15(14)17/h4-6,9-10,14-15,17H,2-3,7-8,11H2,1H3/b16-10+/t14-,15+/m1/s1
InChIKeyXHJJXNGKMLJRLH-FJOYCWEKSA-N
XLogP2.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol (CID 101116793) is cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol is Cc1cccc(/C=N/C[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol?
The InChIKey is XHJJXNGKMLJRLH-FJOYCWEKSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-4-6-13(9-12)10-16-11-14-7-2-3-8-15(14)17/h4-6,9-10,14-15,17H,2-3,7-8,11H2,1H3/b16-10+/t14-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 101116793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).