N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine

C17H27N — CID 54949555

IUPACN-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCCC(C)C(C)NC1CC(c2ccccc2C)C1
InChIInChI=1S/C17H27N/c1-5-12(2)14(4)18-16-10-15(11-16)17-9-7-6-8-13(17)3/h6-9,12,14-16,18H,5,10-11H2,1-4H3
InChIKeyYAPOWZVCBKTBAG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.27
Rot. Bonds5

About N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine

N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 54949555) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID54949555
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCCC(C)C(C)NC1CC(c2ccccc2C)C1
InChIInChI=1S/C17H27N/c1-5-12(2)14(4)18-16-10-15(11-16)17-9-7-6-8-13(17)3/h6-9,12,14-16,18H,5,10-11H2,1-4H3
InChIKeyYAPOWZVCBKTBAG-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-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

Related Compounds

2-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 43634759
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635375
3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902696
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568
N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43680086
N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635534
N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 81363736
3-(2-methylphenyl)-N-(4-methylsulfonylbutan-2-yl)cyclobutan-1-amine
CID 86815004
2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
CID 122039850
N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 113384097
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine (CID 54949555) is N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine is CCC(C)C(C)NC1CC(c2ccccc2C)C1.
What is the InChIKey of N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is YAPOWZVCBKTBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-12(2)14(4)18-16-10-15(11-16)17-9-7-6-8-13(17)3/h6-9,12,14-16,18H,5,10-11H2,1-4H3.
What are the key properties of N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine?
N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 54949555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).