3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine

C19H30N2 — CID 104530160

IUPAC3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCC3CCN(C)CC3)C2)c1
InChIInChI=1S/C19H30N2/c1-15-4-3-5-17(12-15)18-13-19(14-18)20-9-6-16-7-10-21(2)11-8-16/h3-5,12,16,18-20H,6-11,13-14H2,1-2H3
InChIKeyIQKLEFPKDNTYMN-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.56
Rot. Bonds5

About 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine

3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 104530160) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
PubChem CID104530160
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCC3CCN(C)CC3)C2)c1
InChIInChI=1S/C19H30N2/c1-15-4-3-5-17(12-15)18-13-19(14-18)20-9-6-16-7-10-21(2)11-8-16/h3-5,12,16,18-20H,6-11,13-14H2,1-2H3
InChIKeyIQKLEFPKDNTYMN-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]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

3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633758
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide
CID 104526953
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104859771
3-(3-bromophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 60856760
N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 61211081
2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine
CID 83010056
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530006

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine (CID 104530160) is 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine is Cc1cccc(C2CC(NCCC3CCN(C)CC3)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is IQKLEFPKDNTYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-4-3-5-17(12-15)18-13-19(14-18)20-9-6-16-7-10-21(2)11-8-16/h3-5,12,16,18-20H,6-11,13-14H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine?
3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104530160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).