3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine

C9H13N3 — CID 55291745

IUPAC3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
SMILESC=CC(N)c1cc(C)cnc1N
InChIInChI=1S/C9H13N3/c1-3-8(10)7-4-6(2)5-12-9(7)11/h3-5,8H,1,10H2,2H3,(H2,11,12)
InChIKeyJOKNWWUBDMOSSP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.16
Rot. Bonds2

About 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine

3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine (PubChem CID 55291745) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
PubChem CID55291745
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
SMILESC=CC(N)c1cc(C)cnc1N
InChIInChI=1S/C9H13N3/c1-3-8(10)7-4-6(2)5-12-9(7)11/h3-5,8H,1,10H2,2H3,(H2,11,12)
InChIKeyJOKNWWUBDMOSSP-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine (CID 55291745) is 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine is C=CC(N)c1cc(C)cnc1N.
What is the InChIKey of 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine?
The InChIKey is JOKNWWUBDMOSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-8(10)7-4-6(2)5-12-9(7)11/h3-5,8H,1,10H2,2H3,(H2,11,12).
What are the key properties of 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine?
3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 55291745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).