2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine

C13H18N4 — CID 115148047

IUPAC2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)CCc1ccc[nH]1
InChIInChI=1S/C13H18N4/c1-10-8-11(14)9-16-13(10)17(2)7-5-12-4-3-6-15-12/h3-4,6,8-9,15H,5,7,14H2,1-2H3
InChIKeyBFBVJRZTHNGINI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.98
Rot. Bonds4

About 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine

2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 115148047) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID115148047
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)CCc1ccc[nH]1
InChIInChI=1S/C13H18N4/c1-10-8-11(14)9-16-13(10)17(2)7-5-12-4-3-6-15-12/h3-4,6,8-9,15H,5,7,14H2,1-2H3
InChIKeyBFBVJRZTHNGINI-UHFFFAOYSA-N
XLogP1.98
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-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,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine (CID 115148047) is 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine is Cc1cc(N)cnc1N(C)CCc1ccc[nH]1.
What is the InChIKey of 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is BFBVJRZTHNGINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-8-11(14)9-16-13(10)17(2)7-5-12-4-3-6-15-12/h3-4,6,8-9,15H,5,7,14H2,1-2H3.
What are the key properties of 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine?
2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 115148047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).