(3E,5E)-octa-3,5-dien-1-amine

C8H15N — CID 55254846

IUPAC(3E,5E)-octa-3,5-dien-1-amine
SMILESCC/C=C/C=C/CCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h3-6H,2,7-9H2,1H3/b4-3+,6-5+
InChIKeyUHIYQOGFLVPWCB-VNKDHWASSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds4

About (3E,5E)-octa-3,5-dien-1-amine

(3E,5E)-octa-3,5-dien-1-amine (PubChem CID 55254846) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3E,5E)-octa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5E)-octa-3,5-dien-1-amine
PubChem CID55254846
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3E,5E)-octa-3,5-dien-1-amine
SMILESCC/C=C/C=C/CCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h3-6H,2,7-9H2,1H3/b4-3+,6-5+
InChIKeyUHIYQOGFLVPWCB-VNKDHWASSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E)-octa-3,5-diene
CID 173104147
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885
(2E,4E)-7-aminohepta-2,4-dien-1-ol
CID 102305339
octa-2,4-dien-1-amine
CID 3847298
pentadeca-3,5,7,12-tetraene
CID 142697862
pentadeca-3,5,7,9-tetraene
CID 151958393
(3Z,5E)-9-bromonona-3,5-diene
CID 131242086
(4E,6Z)-nona-4,6-dien-1-ol
CID 11286515
6-methylhepta-3,5-dien-1-amine
CID 79592244
(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
CID 88940379
(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine
CID 143033225

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-octa-3,5-dien-1-amine?
The IUPAC name of (3E,5E)-octa-3,5-dien-1-amine (CID 55254846) is (3E,5E)-octa-3,5-dien-1-amine.
What is the SMILES notation for (3E,5E)-octa-3,5-dien-1-amine?
The canonical SMILES for (3E,5E)-octa-3,5-dien-1-amine is CC/C=C/C=C/CCN.
What is the InChIKey of (3E,5E)-octa-3,5-dien-1-amine?
The InChIKey is UHIYQOGFLVPWCB-VNKDHWASSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h3-6H,2,7-9H2,1H3/b4-3+,6-5+.
What are the key properties of (3E,5E)-octa-3,5-dien-1-amine?
(3E,5E)-octa-3,5-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 (3E,5E)-octa-3,5-dien-1-amine is sourced from PubChem (CID 55254846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).