N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine

C16H25N — CID 43633229

IUPACN-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCCC(C)C)C2)cc1
InChIInChI=1S/C16H25N/c1-12(2)8-9-17-16-10-15(11-16)14-6-4-13(3)5-7-14/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyVCPHJUWEOQCHJA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.88
Rot. Bonds5

About N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine

N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 43633229) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID43633229
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCCC(C)C)C2)cc1
InChIInChI=1S/C16H25N/c1-12(2)8-9-17-16-10-15(11-16)14-6-4-13(3)5-7-14/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyVCPHJUWEOQCHJA-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-methylbutyl)-3-(4-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

Methamphetamine
CID 10836
Mephentermine
CID 3677
Protriptyline
CID 4976
Levmetamfetamine
CID 36604
Terodiline
CID 23480
(+)-Methamphetamine hydrochloride
CID 66124
4-Benzylpiperidine
CID 31738
Prenylamine
CID 9801
Terodiline Hydrochloride
CID 23479
N-Ethylamphetamine
CID 9982
Phenpromethamine
CID 22276
4-Benzhydrylpiperidine
CID 88278

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine (CID 43633229) is N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCCC(C)C)C2)cc1.
What is the InChIKey of N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is VCPHJUWEOQCHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)8-9-17-16-10-15(11-16)14-6-4-13(3)5-7-14/h4-7,12,15-17H,8-11H2,1-3H3.
What are the key properties of N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine?
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43633229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).