3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine

C14H31N3 — CID 129229062

IUPAC3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine
SMILESCCC(CCN)C1CCCN(CCCN)C1C
InChIInChI=1S/C14H31N3/c1-3-13(7-9-16)14-6-4-10-17(12(14)2)11-5-8-15/h12-14H,3-11,15-16H2,1-2H3
InChIKeyNPYNCPBMKSTCOD-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.81
Rot. Bonds7

About 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine

3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine (PubChem CID 129229062) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine
PubChem CID129229062
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine
SMILESCCC(CCN)C1CCCN(CCCN)C1C
InChIInChI=1S/C14H31N3/c1-3-13(7-9-16)14-6-4-10-17(12(14)2)11-5-8-15/h12-14H,3-11,15-16H2,1-2H3
InChIKeyNPYNCPBMKSTCOD-UHFFFAOYSA-N
XLogP1.81
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-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-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine?
The IUPAC name of 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine (CID 129229062) is 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine.
What is the SMILES notation for 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine?
The canonical SMILES for 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine is CCC(CCN)C1CCCN(CCCN)C1C.
What is the InChIKey of 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine?
The InChIKey is NPYNCPBMKSTCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-3-13(7-9-16)14-6-4-10-17(12(14)2)11-5-8-15/h12-14H,3-11,15-16H2,1-2H3.
What are the key properties of 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine?
3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)-2-methylpiperidin-3-yl]pentan-1-amine is sourced from PubChem (CID 129229062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).