3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine

C10H15N3 — CID 79591027

IUPAC3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C=CCCN
InChIInChI=1S/C10H15N3/c1-8-5-7-13-10(12)9(8)4-2-3-6-11/h2,4-5,7H,3,6,11H2,1H3,(H2,12,13)
InChIKeyOCKMLHVQVPDZDF-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.33
Rot. Bonds3

About 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine

3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine (PubChem CID 79591027) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine
PubChem CID79591027
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C=CCCN
InChIInChI=1S/C10H15N3/c1-8-5-7-13-10(12)9(8)4-2-3-6-11/h2,4-5,7H,3,6,11H2,1H3,(H2,12,13)
InChIKeyOCKMLHVQVPDZDF-UHFFFAOYSA-N
XLogP1.33
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine (CID 79591027) is 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine is Cc1ccnc(N)c1C=CCCN.
What is the InChIKey of 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine?
The InChIKey is OCKMLHVQVPDZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8-5-7-13-10(12)9(8)4-2-3-6-11/h2,4-5,7H,3,6,11H2,1H3,(H2,12,13).
What are the key properties of 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine?
3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobut-1-enyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 79591027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).