N-propan-2-ylpyridin-3-amine

C8H12N2 — CID 817747

IUPACN-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cccnc1
InChIInChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3
InChIKeyKJSHRGNATIWUSZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.90
Rot. Bonds2

About N-propan-2-ylpyridin-3-amine

N-propan-2-ylpyridin-3-amine (PubChem CID 817747) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound NameN-propan-2-ylpyridin-3-amine
PubChem CID817747
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cccnc1
InChIInChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3
InChIKeyKJSHRGNATIWUSZ-UHFFFAOYSA-N
XLogP1.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propan-2-ylpyridin-3-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 N-propan-2-ylpyridin-3-amine?
The IUPAC name of N-propan-2-ylpyridin-3-amine (CID 817747) is N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for N-propan-2-ylpyridin-3-amine?
The canonical SMILES for N-propan-2-ylpyridin-3-amine is CC(C)Nc1cccnc1.
What is the InChIKey of N-propan-2-ylpyridin-3-amine?
The InChIKey is KJSHRGNATIWUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3.
What are the key properties of N-propan-2-ylpyridin-3-amine?
N-propan-2-ylpyridin-3-amine has a molecular weight of 136.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 817747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).