2-but-3-enylpyridin-4-amine

C9H12N2 — CID 134371583

IUPAC2-but-3-enylpyridin-4-amine
SMILESC=CCCc1cc(N)ccn1
InChIInChI=1S/C9H12N2/c1-2-3-4-9-7-8(10)5-6-11-9/h2,5-7H,1,3-4H2,(H2,10,11)
InChIKeyLSNWSNBPHNJSSM-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.78
Rot. Bonds3

About 2-but-3-enylpyridin-4-amine

2-but-3-enylpyridin-4-amine (PubChem CID 134371583) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-but-3-enylpyridin-4-amine.

Molecular Properties

Compound Name2-but-3-enylpyridin-4-amine
PubChem CID134371583
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-but-3-enylpyridin-4-amine
SMILESC=CCCc1cc(N)ccn1
InChIInChI=1S/C9H12N2/c1-2-3-4-9-7-8(10)5-6-11-9/h2,5-7H,1,3-4H2,(H2,10,11)
InChIKeyLSNWSNBPHNJSSM-UHFFFAOYSA-N
XLogP1.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-but-3-enylpyridin-4-amine?
The IUPAC name of 2-but-3-enylpyridin-4-amine (CID 134371583) is 2-but-3-enylpyridin-4-amine.
What is the SMILES notation for 2-but-3-enylpyridin-4-amine?
The canonical SMILES for 2-but-3-enylpyridin-4-amine is C=CCCc1cc(N)ccn1.
What is the InChIKey of 2-but-3-enylpyridin-4-amine?
The InChIKey is LSNWSNBPHNJSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-3-4-9-7-8(10)5-6-11-9/h2,5-7H,1,3-4H2,(H2,10,11).
What are the key properties of 2-but-3-enylpyridin-4-amine?
2-but-3-enylpyridin-4-amine has a molecular weight of 148.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylpyridin-4-amine is sourced from PubChem (CID 134371583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).