2-methoxycyclohexan-1-imine

C7H13NO — CID 177227182

IUPAC2-methoxycyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1OC
InChIInChI=1S/C7H13NO/c1-9-7-5-3-2-4-6(7)8/h7-8H,2-5H2,1H3/b8-6+
InChIKeyRUMIBYYOONYFRR-SOFGYWHQSA-N
MW127.19 g/mol
LogP1.60
Rot. Bonds1

About 2-methoxycyclohexan-1-imine

2-methoxycyclohexan-1-imine (PubChem CID 177227182) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methoxycyclohexan-1-imine.

Molecular Properties

Compound Name2-methoxycyclohexan-1-imine
PubChem CID177227182
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methoxycyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1OC
InChIInChI=1S/C7H13NO/c1-9-7-5-3-2-4-6(7)8/h7-8H,2-5H2,1H3/b8-6+
InChIKeyRUMIBYYOONYFRR-SOFGYWHQSA-N
XLogP1.60
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxycyclohexan-1-imine 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-methoxycyclohexan-1-imine?
The IUPAC name of 2-methoxycyclohexan-1-imine (CID 177227182) is 2-methoxycyclohexan-1-imine.
What is the SMILES notation for 2-methoxycyclohexan-1-imine?
The canonical SMILES for 2-methoxycyclohexan-1-imine is [H]/N=C1\CCCCC1OC.
What is the InChIKey of 2-methoxycyclohexan-1-imine?
The InChIKey is RUMIBYYOONYFRR-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-7-5-3-2-4-6(7)8/h7-8H,2-5H2,1H3/b8-6+.
What are the key properties of 2-methoxycyclohexan-1-imine?
2-methoxycyclohexan-1-imine has a molecular weight of 127.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohexan-1-imine is sourced from PubChem (CID 177227182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).