N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine

C15H31NO — CID 64732467

IUPACN-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCOC(C)(C)CC(C)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H31NO/c1-11-7-12(2)9-14(8-11)16-13(3)10-15(4,5)17-6/h11-14,16H,7-10H2,1-6H3
InChIKeyRQDKIJWCIAQGTJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.60
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine

N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64732467) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64732467
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCOC(C)(C)CC(C)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H31NO/c1-11-7-12(2)9-14(8-11)16-13(3)10-15(4,5)17-6/h11-14,16H,7-10H2,1-6H3
InChIKeyRQDKIJWCIAQGTJ-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-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 N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine (CID 64732467) is N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine is COC(C)(C)CC(C)NC1CC(C)CC(C)C1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is RQDKIJWCIAQGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11-7-12(2)9-14(8-11)16-13(3)10-15(4,5)17-6/h11-14,16H,7-10H2,1-6H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine?
N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64732467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).