N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine

C24H39N — CID 54519738

IUPACN,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine
SMILESC=CCCCC=CCN(CC=CCCCC=C)CC=CCCCC=C
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/h4-6,16-21H,1-3,7-15,22-24H2
InChIKeyYOXWVRXFGYIPIB-UHFFFAOYSA-N
MW341.58 g/mol
LogP7.03
Rot. Bonds18

About N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine

N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine (PubChem CID 54519738) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine.

Molecular Properties

Compound NameN,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine
PubChem CID54519738
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC NameN,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine
SMILESC=CCCCC=CCN(CC=CCCCC=C)CC=CCCCC=C
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/h4-6,16-21H,1-3,7-15,22-24H2
InChIKeyYOXWVRXFGYIPIB-UHFFFAOYSA-N
XLogP7.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine?
The IUPAC name of N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine (CID 54519738) is N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine.
What is the SMILES notation for N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine?
The canonical SMILES for N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine is C=CCCCC=CCN(CC=CCCCC=C)CC=CCCCC=C.
What is the InChIKey of N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine?
The InChIKey is YOXWVRXFGYIPIB-UHFFFAOYSA-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/h4-6,16-21H,1-3,7-15,22-24H2.
What are the key properties of N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine?
N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine has a molecular weight of 341.58 g/mol, XLogP of 7.03, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(octa-2,7-dienyl)octa-2,7-dien-1-amine is sourced from PubChem (CID 54519738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).