5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine

C9H13N3 — CID 169463243

IUPAC5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine
SMILESCc1ncc(N)cc1C=CCN
InChIInChI=1S/C9H13N3/c1-7-8(3-2-4-10)5-9(11)6-12-7/h2-3,5-6H,4,10-11H2,1H3
InChIKeyIKYJPCURYLNKMI-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.94
Rot. Bonds2

About 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine

5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine (PubChem CID 169463243) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine
PubChem CID169463243
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine
SMILESCc1ncc(N)cc1C=CCN
InChIInChI=1S/C9H13N3/c1-7-8(3-2-4-10)5-9(11)6-12-7/h2-3,5-6H,4,10-11H2,1H3
InChIKeyIKYJPCURYLNKMI-UHFFFAOYSA-N
XLogP0.94
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine?
The IUPAC name of 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine (CID 169463243) is 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine is Cc1ncc(N)cc1C=CCN.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine?
The InChIKey is IKYJPCURYLNKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-8(3-2-4-10)5-9(11)6-12-7/h2-3,5-6H,4,10-11H2,1H3.
What are the key properties of 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine?
5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine has a molecular weight of 163.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine is sourced from PubChem (CID 169463243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).