4-methanimidoylcyclohexan-1-ol

C7H13NO — CID 91062331

IUPAC4-methanimidoylcyclohexan-1-ol
SMILES[H]/N=C/C1CCC(O)CC1
InChIInChI=1S/C7H13NO/c8-5-6-1-3-7(9)4-2-6/h5-9H,1-4H2/b8-5+
InChIKeyOCVQDDNXXVJWOK-VMPITWQZSA-N
MW127.19 g/mol
LogP1.19
Rot. Bonds1

About 4-methanimidoylcyclohexan-1-ol

4-methanimidoylcyclohexan-1-ol (PubChem CID 91062331) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methanimidoylcyclohexan-1-ol.

Molecular Properties

Compound Name4-methanimidoylcyclohexan-1-ol
PubChem CID91062331
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-methanimidoylcyclohexan-1-ol
SMILES[H]/N=C/C1CCC(O)CC1
InChIInChI=1S/C7H13NO/c8-5-6-1-3-7(9)4-2-6/h5-9H,1-4H2/b8-5+
InChIKeyOCVQDDNXXVJWOK-VMPITWQZSA-N
XLogP1.19
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methanimidoylcyclohexan-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 4-methanimidoylcyclohexan-1-ol?
The IUPAC name of 4-methanimidoylcyclohexan-1-ol (CID 91062331) is 4-methanimidoylcyclohexan-1-ol.
What is the SMILES notation for 4-methanimidoylcyclohexan-1-ol?
The canonical SMILES for 4-methanimidoylcyclohexan-1-ol is [H]/N=C/C1CCC(O)CC1.
What is the InChIKey of 4-methanimidoylcyclohexan-1-ol?
The InChIKey is OCVQDDNXXVJWOK-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO/c8-5-6-1-3-7(9)4-2-6/h5-9H,1-4H2/b8-5+.
What are the key properties of 4-methanimidoylcyclohexan-1-ol?
4-methanimidoylcyclohexan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylcyclohexan-1-ol is sourced from PubChem (CID 91062331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).