3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine

C19H30N2 — CID 61018599

IUPAC3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCC(C)N2CCCCC2)C1
InChIInChI=1S/C19H30N2/c1-15-8-4-5-9-19(15)17-12-18(13-17)20-14-16(2)21-10-6-3-7-11-21/h4-5,8-9,16-18,20H,3,6-7,10-14H2,1-2H3
InChIKeyBJEVGLOULVREQT-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.71
Rot. Bonds5

About 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine

3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine (PubChem CID 61018599) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
PubChem CID61018599
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCC(C)N2CCCCC2)C1
InChIInChI=1S/C19H30N2/c1-15-8-4-5-9-19(15)17-12-18(13-17)20-14-16(2)21-10-6-3-7-11-21/h4-5,8-9,16-18,20H,3,6-7,10-14H2,1-2H3
InChIKeyBJEVGLOULVREQT-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine (CID 61018599) is 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine is Cc1ccccc1C1CC(NCC(C)N2CCCCC2)C1.
What is the InChIKey of 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine?
The InChIKey is BJEVGLOULVREQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-8-4-5-9-19(15)17-12-18(13-17)20-14-16(2)21-10-6-3-7-11-21/h4-5,8-9,16-18,20H,3,6-7,10-14H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine?
3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 61018599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).