4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine

C15H31NO2 — CID 116769240

IUPAC4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H31NO2/c1-12(6-11-17-4)13(16)15(18-5)9-7-14(2,3)8-10-15/h12-13H,6-11,16H2,1-5H3
InChIKeyVEBNYLVMSOGTMD-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.97
Rot. Bonds6

About 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine

4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine (PubChem CID 116769240) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine
PubChem CID116769240
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H31NO2/c1-12(6-11-17-4)13(16)15(18-5)9-7-14(2,3)8-10-15/h12-13H,6-11,16H2,1-5H3
InChIKeyVEBNYLVMSOGTMD-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-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-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine (CID 116769240) is 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine is COCCC(C)C(N)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine?
The InChIKey is VEBNYLVMSOGTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(6-11-17-4)13(16)15(18-5)9-7-14(2,3)8-10-15/h12-13H,6-11,16H2,1-5H3.
What are the key properties of 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine?
4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine is sourced from PubChem (CID 116769240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).