(4E,6E)-octa-4,6-dien-1-amine

C8H15N — CID 55290579

IUPAC(4E,6E)-octa-4,6-dien-1-amine
SMILESC/C=C/C=C/CCCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-5H,6-9H2,1H3/b3-2+,5-4+
InChIKeyCCOPNFONHMWNJM-MQQKCMAXSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds4

About (4E,6E)-octa-4,6-dien-1-amine

(4E,6E)-octa-4,6-dien-1-amine (PubChem CID 55290579) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (4E,6E)-octa-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E,6E)-octa-4,6-dien-1-amine
PubChem CID55290579
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(4E,6E)-octa-4,6-dien-1-amine
SMILESC/C=C/C=C/CCCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-5H,6-9H2,1H3/b3-2+,5-4+
InChIKeyCCOPNFONHMWNJM-MQQKCMAXSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-octa-4,6-dien-1-amine?
The IUPAC name of (4E,6E)-octa-4,6-dien-1-amine (CID 55290579) is (4E,6E)-octa-4,6-dien-1-amine.
What is the SMILES notation for (4E,6E)-octa-4,6-dien-1-amine?
The canonical SMILES for (4E,6E)-octa-4,6-dien-1-amine is C/C=C/C=C/CCCN.
What is the InChIKey of (4E,6E)-octa-4,6-dien-1-amine?
The InChIKey is CCOPNFONHMWNJM-MQQKCMAXSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-5H,6-9H2,1H3/b3-2+,5-4+.
What are the key properties of (4E,6E)-octa-4,6-dien-1-amine?
(4E,6E)-octa-4,6-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-octa-4,6-dien-1-amine is sourced from PubChem (CID 55290579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).