(1E,3E)-octa-1,3-dien-1-amine

C8H15N — CID 22119560

IUPAC(1E,3E)-octa-1,3-dien-1-amine
SMILESCCCC/C=C/C=C/N
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h5-8H,2-4,9H2,1H3/b6-5+,8-7+
InChIKeyKJWPSVNOHUOXGQ-BSWSSELBSA-N
MW125.21 g/mol
LogP2.21
Rot. Bonds4

About (1E,3E)-octa-1,3-dien-1-amine

(1E,3E)-octa-1,3-dien-1-amine (PubChem CID 22119560) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1E,3E)-octa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-octa-1,3-dien-1-amine
PubChem CID22119560
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1E,3E)-octa-1,3-dien-1-amine
SMILESCCCC/C=C/C=C/N
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h5-8H,2-4,9H2,1H3/b6-5+,8-7+
InChIKeyKJWPSVNOHUOXGQ-BSWSSELBSA-N
XLogP2.21
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 ≤ 52.21
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 (1E,3E)-octa-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-octa-1,3-dien-1-amine (CID 22119560) is (1E,3E)-octa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-octa-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-octa-1,3-dien-1-amine is CCCC/C=C/C=C/N.
What is the InChIKey of (1E,3E)-octa-1,3-dien-1-amine?
The InChIKey is KJWPSVNOHUOXGQ-BSWSSELBSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h5-8H,2-4,9H2,1H3/b6-5+,8-7+.
What are the key properties of (1E,3E)-octa-1,3-dien-1-amine?
(1E,3E)-octa-1,3-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-octa-1,3-dien-1-amine is sourced from PubChem (CID 22119560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).