(1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine

C9H10N2 — CID 121226828

IUPAC(1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine
SMILESN/C=C/C=C/c1ccncc1
InChIInChI=1S/C9H10N2/c10-6-2-1-3-9-4-7-11-8-5-9/h1-8H,10H2/b3-1+,6-2+
InChIKeyPYFWPIRDKIGUSD-DHWRHDBVSA-N
MW146.19 g/mol
LogP1.57
Rot. Bonds2

About (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine

(1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine (PubChem CID 121226828) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine
PubChem CID121226828
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine
SMILESN/C=C/C=C/c1ccncc1
InChIInChI=1S/C9H10N2/c10-6-2-1-3-9-4-7-11-8-5-9/h1-8H,10H2/b3-1+,6-2+
InChIKeyPYFWPIRDKIGUSD-DHWRHDBVSA-N
XLogP1.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine (CID 121226828) is (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine is N/C=C/C=C/c1ccncc1.
What is the InChIKey of (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine?
The InChIKey is PYFWPIRDKIGUSD-DHWRHDBVSA-N. The full InChI is InChI=1S/C9H10N2/c10-6-2-1-3-9-4-7-11-8-5-9/h1-8H,10H2/b3-1+,6-2+.
What are the key properties of (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine?
(1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine has a molecular weight of 146.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 121226828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).