4-propan-2-ylpyridin-3-amine

C8H12N2 — CID 20689426

IUPAC4-propan-2-ylpyridin-3-amine
SMILESCC(C)c1ccncc1N
InChIInChI=1S/C8H12N2/c1-6(2)7-3-4-10-5-8(7)9/h3-6H,9H2,1-2H3
InChIKeyOJHNYMRENKHHMZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.79
Rot. Bonds1

About 4-propan-2-ylpyridin-3-amine

4-propan-2-ylpyridin-3-amine (PubChem CID 20689426) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name4-propan-2-ylpyridin-3-amine
PubChem CID20689426
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-propan-2-ylpyridin-3-amine
SMILESCC(C)c1ccncc1N
InChIInChI=1S/C8H12N2/c1-6(2)7-3-4-10-5-8(7)9/h3-6H,9H2,1-2H3
InChIKeyOJHNYMRENKHHMZ-UHFFFAOYSA-N
XLogP1.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyridin-3-amine?
The IUPAC name of 4-propan-2-ylpyridin-3-amine (CID 20689426) is 4-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 4-propan-2-ylpyridin-3-amine?
The canonical SMILES for 4-propan-2-ylpyridin-3-amine is CC(C)c1ccncc1N.
What is the InChIKey of 4-propan-2-ylpyridin-3-amine?
The InChIKey is OJHNYMRENKHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6(2)7-3-4-10-5-8(7)9/h3-6H,9H2,1-2H3.
What are the key properties of 4-propan-2-ylpyridin-3-amine?
4-propan-2-ylpyridin-3-amine has a molecular weight of 136.20 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 20689426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).