3-ethenylpenta-2,4-dien-1-amine

C7H11N — CID 130019175

IUPAC3-ethenylpenta-2,4-dien-1-amine
SMILESC=CC(C=C)=CCN
InChIInChI=1S/C7H11N/c1-3-7(4-2)5-6-8/h3-5H,1-2,6,8H2
InChIKeyRALKRARTKBYQAZ-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.24
Rot. Bonds3

About 3-ethenylpenta-2,4-dien-1-amine

3-ethenylpenta-2,4-dien-1-amine (PubChem CID 130019175) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-ethenylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name3-ethenylpenta-2,4-dien-1-amine
PubChem CID130019175
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-ethenylpenta-2,4-dien-1-amine
SMILESC=CC(C=C)=CCN
InChIInChI=1S/C7H11N/c1-3-7(4-2)5-6-8/h3-5H,1-2,6,8H2
InChIKeyRALKRARTKBYQAZ-UHFFFAOYSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylpenta-2,4-dien-1-amine?
The IUPAC name of 3-ethenylpenta-2,4-dien-1-amine (CID 130019175) is 3-ethenylpenta-2,4-dien-1-amine.
What is the SMILES notation for 3-ethenylpenta-2,4-dien-1-amine?
The canonical SMILES for 3-ethenylpenta-2,4-dien-1-amine is C=CC(C=C)=CCN.
What is the InChIKey of 3-ethenylpenta-2,4-dien-1-amine?
The InChIKey is RALKRARTKBYQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7(4-2)5-6-8/h3-5H,1-2,6,8H2.
What are the key properties of 3-ethenylpenta-2,4-dien-1-amine?
3-ethenylpenta-2,4-dien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpenta-2,4-dien-1-amine is sourced from PubChem (CID 130019175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).