2-methanimidoyl-4-methoxycyclohexan-1-ol

C8H15NO2 — CID 89209201

IUPAC2-methanimidoyl-4-methoxycyclohexan-1-ol
SMILES[H]/N=C/C1CC(OC)CCC1O
InChIInChI=1S/C8H15NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h5-10H,2-4H2,1H3/b9-5+
InChIKeyRAZMFSZCIOZHRY-WEVVVXLNSA-N
MW157.21 g/mol
LogP0.81
Rot. Bonds2

About 2-methanimidoyl-4-methoxycyclohexan-1-ol

2-methanimidoyl-4-methoxycyclohexan-1-ol (PubChem CID 89209201) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methanimidoyl-4-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name2-methanimidoyl-4-methoxycyclohexan-1-ol
PubChem CID89209201
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methanimidoyl-4-methoxycyclohexan-1-ol
SMILES[H]/N=C/C1CC(OC)CCC1O
InChIInChI=1S/C8H15NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h5-10H,2-4H2,1H3/b9-5+
InChIKeyRAZMFSZCIOZHRY-WEVVVXLNSA-N
XLogP0.81
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methanimidoyl-4-methoxycyclohexan-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 2-methanimidoyl-4-methoxycyclohexan-1-ol?
The IUPAC name of 2-methanimidoyl-4-methoxycyclohexan-1-ol (CID 89209201) is 2-methanimidoyl-4-methoxycyclohexan-1-ol.
What is the SMILES notation for 2-methanimidoyl-4-methoxycyclohexan-1-ol?
The canonical SMILES for 2-methanimidoyl-4-methoxycyclohexan-1-ol is [H]/N=C/C1CC(OC)CCC1O.
What is the InChIKey of 2-methanimidoyl-4-methoxycyclohexan-1-ol?
The InChIKey is RAZMFSZCIOZHRY-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h5-10H,2-4H2,1H3/b9-5+.
What are the key properties of 2-methanimidoyl-4-methoxycyclohexan-1-ol?
2-methanimidoyl-4-methoxycyclohexan-1-ol has a molecular weight of 157.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-methoxycyclohexan-1-ol is sourced from PubChem (CID 89209201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).