2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine

C12H20N4 — CID 80832526

IUPAC2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
SMILESCNc1cccc(NCCN2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-13-11-5-4-6-12(15-11)14-7-10-16-8-2-3-9-16/h4-6H,2-3,7-10H2,1H3,(H2,13,14,15)
InChIKeyHNOBAWYRXLXQSI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.63
Rot. Bonds5

About 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine

2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine (PubChem CID 80832526) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
PubChem CID80832526
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
SMILESCNc1cccc(NCCN2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-13-11-5-4-6-12(15-11)14-7-10-16-8-2-3-9-16/h4-6H,2-3,7-10H2,1H3,(H2,13,14,15)
InChIKeyHNOBAWYRXLXQSI-UHFFFAOYSA-N
XLogP1.63
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine 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-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine (CID 80832526) is 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine is CNc1cccc(NCCN2CCCC2)n1.
What is the InChIKey of 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine?
The InChIKey is HNOBAWYRXLXQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-13-11-5-4-6-12(15-11)14-7-10-16-8-2-3-9-16/h4-6H,2-3,7-10H2,1H3,(H2,13,14,15).
What are the key properties of 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine?
2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80832526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).