3-methoxy-1-(4-methylcyclohexyl)propan-1-imine

C11H21NO — CID 144802106

IUPAC3-methoxy-1-(4-methylcyclohexyl)propan-1-imine
SMILES[H]/N=C(\CCOC)C1CCC(C)CC1
InChIInChI=1S/C11H21NO/c1-9-3-5-10(6-4-9)11(12)7-8-13-2/h9-10,12H,3-8H2,1-2H3/b12-11+
InChIKeyHSTADPMIXBAMLB-VAWYXSNFSA-N
MW183.29 g/mol
LogP2.87
Rot. Bonds4

About 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine

3-methoxy-1-(4-methylcyclohexyl)propan-1-imine (PubChem CID 144802106) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine.

Molecular Properties

Compound Name3-methoxy-1-(4-methylcyclohexyl)propan-1-imine
PubChem CID144802106
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methoxy-1-(4-methylcyclohexyl)propan-1-imine
SMILES[H]/N=C(\CCOC)C1CCC(C)CC1
InChIInChI=1S/C11H21NO/c1-9-3-5-10(6-4-9)11(12)7-8-13-2/h9-10,12H,3-8H2,1-2H3/b12-11+
InChIKeyHSTADPMIXBAMLB-VAWYXSNFSA-N
XLogP2.87
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-1-(4-methylcyclohexyl)propan-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 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine?
The IUPAC name of 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine (CID 144802106) is 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine.
What is the SMILES notation for 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine?
The canonical SMILES for 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine is [H]/N=C(\CCOC)C1CCC(C)CC1.
What is the InChIKey of 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine?
The InChIKey is HSTADPMIXBAMLB-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-3-5-10(6-4-9)11(12)7-8-13-2/h9-10,12H,3-8H2,1-2H3/b12-11+.
What are the key properties of 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine?
3-methoxy-1-(4-methylcyclohexyl)propan-1-imine has a molecular weight of 183.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylcyclohexyl)propan-1-imine is sourced from PubChem (CID 144802106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).