2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine

C11H19N3 — CID 70334328

IUPAC2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(C1=CC=CNC1)N1CCCC1
InChIInChI=1S/C11H19N3/c12-8-11(14-6-1-2-7-14)10-4-3-5-13-9-10/h3-5,11,13H,1-2,6-9,12H2
InChIKeyVPTRVYVDWDFFIH-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.45
Rot. Bonds3

About 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine

2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 70334328) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID70334328
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(C1=CC=CNC1)N1CCCC1
InChIInChI=1S/C11H19N3/c12-8-11(14-6-1-2-7-14)10-4-3-5-13-9-10/h3-5,11,13H,1-2,6-9,12H2
InChIKeyVPTRVYVDWDFFIH-UHFFFAOYSA-N
XLogP0.45
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine 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 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine (CID 70334328) is 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine is NCC(C1=CC=CNC1)N1CCCC1.
What is the InChIKey of 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is VPTRVYVDWDFFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c12-8-11(14-6-1-2-7-14)10-4-3-5-13-9-10/h3-5,11,13H,1-2,6-9,12H2.
What are the key properties of 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine?
2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 193.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 70334328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).