1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine

C12H17N3 — CID 70991340

IUPAC1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine
SMILESC1=CC(CNCC2=NC=CCC2)=NCC1
InChIInChI=1S/C12H17N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1,4-5,8,13H,2-3,6-7,9-10H2
InChIKeyJLUAIXSOXAGREN-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.73
Rot. Bonds4

About 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine

1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine (PubChem CID 70991340) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine
PubChem CID70991340
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine
SMILESC1=CC(CNCC2=NC=CCC2)=NCC1
InChIInChI=1S/C12H17N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1,4-5,8,13H,2-3,6-7,9-10H2
InChIKeyJLUAIXSOXAGREN-UHFFFAOYSA-N
XLogP1.73
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine 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 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine (CID 70991340) is 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine is C1=CC(CNCC2=NC=CCC2)=NCC1.
What is the InChIKey of 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine?
The InChIKey is JLUAIXSOXAGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1,4-5,8,13H,2-3,6-7,9-10H2.
What are the key properties of 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine?
1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine has a molecular weight of 203.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine is sourced from PubChem (CID 70991340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).