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

C9H13N3 — CID 170486446

IUPAC2-(4-aminobut-1-enyl)pyridin-3-amine
SMILESNCCC=Cc1ncccc1N
InChIInChI=1S/C9H13N3/c10-6-2-1-5-9-8(11)4-3-7-12-9/h1,3-5,7H,2,6,10-11H2
InChIKeyPKFMKKDAHPVSHA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.03
Rot. Bonds3

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

2-(4-aminobut-1-enyl)pyridin-3-amine (PubChem CID 170486446) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(4-aminobut-1-enyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-aminobut-1-enyl)pyridin-3-amine
PubChem CID170486446
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(4-aminobut-1-enyl)pyridin-3-amine
SMILESNCCC=Cc1ncccc1N
InChIInChI=1S/C9H13N3/c10-6-2-1-5-9-8(11)4-3-7-12-9/h1,3-5,7H,2,6,10-11H2
InChIKeyPKFMKKDAHPVSHA-UHFFFAOYSA-N
XLogP1.03
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobut-1-enyl)pyridin-3-amine?
The IUPAC name of 2-(4-aminobut-1-enyl)pyridin-3-amine (CID 170486446) is 2-(4-aminobut-1-enyl)pyridin-3-amine.
What is the SMILES notation for 2-(4-aminobut-1-enyl)pyridin-3-amine?
The canonical SMILES for 2-(4-aminobut-1-enyl)pyridin-3-amine is NCCC=Cc1ncccc1N.
What is the InChIKey of 2-(4-aminobut-1-enyl)pyridin-3-amine?
The InChIKey is PKFMKKDAHPVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-6-2-1-5-9-8(11)4-3-7-12-9/h1,3-5,7H,2,6,10-11H2.
What are the key properties of 2-(4-aminobut-1-enyl)pyridin-3-amine?
2-(4-aminobut-1-enyl)pyridin-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobut-1-enyl)pyridin-3-amine is sourced from PubChem (CID 170486446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).