4-ethenylhexa-3,5-dien-1-amine

C8H13N — CID 130019176

IUPAC4-ethenylhexa-3,5-dien-1-amine
SMILESC=CC(C=C)=CCCN
InChIInChI=1S/C8H13N/c1-3-8(4-2)6-5-7-9/h3-4,6H,1-2,5,7,9H2
InChIKeyRWCHXOMTOQBKDF-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.63
Rot. Bonds4

About 4-ethenylhexa-3,5-dien-1-amine

4-ethenylhexa-3,5-dien-1-amine (PubChem CID 130019176) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4-ethenylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name4-ethenylhexa-3,5-dien-1-amine
PubChem CID130019176
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4-ethenylhexa-3,5-dien-1-amine
SMILESC=CC(C=C)=CCCN
InChIInChI=1S/C8H13N/c1-3-8(4-2)6-5-7-9/h3-4,6H,1-2,5,7,9H2
InChIKeyRWCHXOMTOQBKDF-UHFFFAOYSA-N
XLogP1.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.63
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 4-ethenylhexa-3,5-dien-1-amine?
The IUPAC name of 4-ethenylhexa-3,5-dien-1-amine (CID 130019176) is 4-ethenylhexa-3,5-dien-1-amine.
What is the SMILES notation for 4-ethenylhexa-3,5-dien-1-amine?
The canonical SMILES for 4-ethenylhexa-3,5-dien-1-amine is C=CC(C=C)=CCCN.
What is the InChIKey of 4-ethenylhexa-3,5-dien-1-amine?
The InChIKey is RWCHXOMTOQBKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8(4-2)6-5-7-9/h3-4,6H,1-2,5,7,9H2.
What are the key properties of 4-ethenylhexa-3,5-dien-1-amine?
4-ethenylhexa-3,5-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylhexa-3,5-dien-1-amine is sourced from PubChem (CID 130019176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).