(1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine

C24H39N — CID 22755519

IUPAC(1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine
SMILESCCCC/C=C/C=C/N(/C=C/C=C/CCCC)/C=C/C=C/CCCC
InChIInChI=1S/C24H39N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h13-24H,4-12H2,1-3H3/b16-13+,17-14+,18-15+,22-19+,23-20+,24-21+
InChIKeyQJZWNPDQSYUVRJ-OEFTXHNJSA-N
MW341.58 g/mol
LogP8.07
Rot. Bonds15

About (1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine

(1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine (PubChem CID 22755519) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is (1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine
PubChem CID22755519
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Name(1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine
SMILESCCCC/C=C/C=C/N(/C=C/C=C/CCCC)/C=C/C=C/CCCC
InChIInChI=1S/C24H39N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h13-24H,4-12H2,1-3H3/b16-13+,17-14+,18-15+,22-19+,23-20+,24-21+
InChIKeyQJZWNPDQSYUVRJ-OEFTXHNJSA-N
XLogP8.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 58.07
H-Bond Donors ≤ 50
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)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine (CID 22755519) is (1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine is CCCC/C=C/C=C/N(/C=C/C=C/CCCC)/C=C/C=C/CCCC.
What is the InChIKey of (1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine?
The InChIKey is QJZWNPDQSYUVRJ-OEFTXHNJSA-N. The full InChI is InChI=1S/C24H39N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h13-24H,4-12H2,1-3H3/b16-13+,17-14+,18-15+,22-19+,23-20+,24-21+.
What are the key properties of (1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine?
(1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine has a molecular weight of 341.58 g/mol, XLogP of 8.07, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N,N-bis[(1E,3E)-octa-1,3-dienyl]octa-1,3-dien-1-amine is sourced from PubChem (CID 22755519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).