N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine

C17H25N — CID 64997710

IUPACN-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine
SMILESCc1ccc(C2(CNC3CC3)CC(C)(C)C2)cc1
InChIInChI=1S/C17H25N/c1-13-4-6-14(7-5-13)17(10-16(2,3)11-17)12-18-15-8-9-15/h4-7,15,18H,8-12H2,1-3H3
InChIKeyHQDDXUKSFQUDNC-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.80
Rot. Bonds4

About N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine

N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 64997710) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine
PubChem CID64997710
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine
SMILESCc1ccc(C2(CNC3CC3)CC(C)(C)C2)cc1
InChIInChI=1S/C17H25N/c1-13-4-6-14(7-5-13)17(10-16(2,3)11-17)12-18-15-8-9-15/h4-7,15,18H,8-12H2,1-3H3
InChIKeyHQDDXUKSFQUDNC-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine 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-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine (CID 64997710) is N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine is Cc1ccc(C2(CNC3CC3)CC(C)(C)C2)cc1.
What is the InChIKey of N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is HQDDXUKSFQUDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13-4-6-14(7-5-13)17(10-16(2,3)11-17)12-18-15-8-9-15/h4-7,15,18H,8-12H2,1-3H3.
What are the key properties of N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine?
N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 243.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 64997710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).