3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine

C15H24N2 — CID 80524474

IUPAC3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine
SMILESCCCC1(CCC)CC(N)(c2ccncc2)C1
InChIInChI=1S/C15H24N2/c1-3-7-14(8-4-2)11-15(16,12-14)13-5-9-17-10-6-13/h5-6,9-10H,3-4,7-8,11-12,16H2,1-2H3
InChIKeyOETNURWQEFRAJI-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.62
Rot. Bonds5

About 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine

3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine (PubChem CID 80524474) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine
PubChem CID80524474
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine
SMILESCCCC1(CCC)CC(N)(c2ccncc2)C1
InChIInChI=1S/C15H24N2/c1-3-7-14(8-4-2)11-15(16,12-14)13-5-9-17-10-6-13/h5-6,9-10H,3-4,7-8,11-12,16H2,1-2H3
InChIKeyOETNURWQEFRAJI-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dipropyl-1-pyridin-4-ylcyclobutan-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 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine?
The IUPAC name of 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine (CID 80524474) is 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine.
What is the SMILES notation for 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine?
The canonical SMILES for 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine is CCCC1(CCC)CC(N)(c2ccncc2)C1.
What is the InChIKey of 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine?
The InChIKey is OETNURWQEFRAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-7-14(8-4-2)11-15(16,12-14)13-5-9-17-10-6-13/h5-6,9-10H,3-4,7-8,11-12,16H2,1-2H3.
What are the key properties of 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine?
3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipropyl-1-pyridin-4-ylcyclobutan-1-amine is sourced from PubChem (CID 80524474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).