(3E)-N-ethenylhexa-3,5-dien-3-amine

C8H13N — CID 129129836

IUPAC(3E)-N-ethenylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)NC=C
InChIInChI=1S/C8H13N/c1-4-7-8(5-2)9-6-3/h4,6-7,9H,1,3,5H2,2H3/b8-7+
InChIKeyGLZWHTHQSPQZFL-BQYQJAHWSA-N
MW123.20 g/mol
LogP2.20
Rot. Bonds4

About (3E)-N-ethenylhexa-3,5-dien-3-amine

(3E)-N-ethenylhexa-3,5-dien-3-amine (PubChem CID 129129836) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3E)-N-ethenylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-ethenylhexa-3,5-dien-3-amine
PubChem CID129129836
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3E)-N-ethenylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)NC=C
InChIInChI=1S/C8H13N/c1-4-7-8(5-2)9-6-3/h4,6-7,9H,1,3,5H2,2H3/b8-7+
InChIKeyGLZWHTHQSPQZFL-BQYQJAHWSA-N
XLogP2.20
TPSA12.03 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 ≤ 52.20
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 (3E)-N-ethenylhexa-3,5-dien-3-amine?
The IUPAC name of (3E)-N-ethenylhexa-3,5-dien-3-amine (CID 129129836) is (3E)-N-ethenylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-N-ethenylhexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-N-ethenylhexa-3,5-dien-3-amine is C=C/C=C(\CC)NC=C.
What is the InChIKey of (3E)-N-ethenylhexa-3,5-dien-3-amine?
The InChIKey is GLZWHTHQSPQZFL-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H13N/c1-4-7-8(5-2)9-6-3/h4,6-7,9H,1,3,5H2,2H3/b8-7+.
What are the key properties of (3E)-N-ethenylhexa-3,5-dien-3-amine?
(3E)-N-ethenylhexa-3,5-dien-3-amine has a molecular weight of 123.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethenylhexa-3,5-dien-3-amine is sourced from PubChem (CID 129129836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).