4-methoxy-2-(4-methylcyclohexyl)butan-2-amine

C12H25NO — CID 64748370

IUPAC4-methoxy-2-(4-methylcyclohexyl)butan-2-amine
SMILESCOCCC(C)(N)C1CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-10-4-6-11(7-5-10)12(2,13)8-9-14-3/h10-11H,4-9,13H2,1-3H3
InChIKeyAOBWLVMJEOBGHJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds4

About 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine

4-methoxy-2-(4-methylcyclohexyl)butan-2-amine (PubChem CID 64748370) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-2-(4-methylcyclohexyl)butan-2-amine
PubChem CID64748370
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methoxy-2-(4-methylcyclohexyl)butan-2-amine
SMILESCOCCC(C)(N)C1CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-10-4-6-11(7-5-10)12(2,13)8-9-14-3/h10-11H,4-9,13H2,1-3H3
InChIKeyAOBWLVMJEOBGHJ-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine 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-methoxy-2-(4-methylcyclohexyl)butan-2-amine?
The IUPAC name of 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine (CID 64748370) is 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine?
The canonical SMILES for 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine is COCCC(C)(N)C1CCC(C)CC1.
What is the InChIKey of 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine?
The InChIKey is AOBWLVMJEOBGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-4-6-11(7-5-10)12(2,13)8-9-14-3/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine?
4-methoxy-2-(4-methylcyclohexyl)butan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylcyclohexyl)butan-2-amine is sourced from PubChem (CID 64748370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).