N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine

C36H67N — CID 54303074

IUPACN-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine
SMILESCCCCCC=CCC=CCCCCCCCCNCCCCCCCCC=CCC=CCCCCC
InChIInChI=1S/C36H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3
InChIKeySFPJCZDLNJKIQD-UHFFFAOYSA-N
MW513.94 g/mol
LogP12.20
Rot. Bonds30

About N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine

N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine (PubChem CID 54303074) has the molecular formula C36H67N and a molecular weight of 513.94 g/mol. Its IUPAC name is N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine.

Molecular Properties

Compound NameN-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine
PubChem CID54303074
Molecular FormulaC36H67N
Molecular Weight513.94 g/mol
Exact Mass513.53
IUPAC NameN-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine
SMILESCCCCCC=CCC=CCCCCCCCCNCCCCCCCCC=CCC=CCCCCC
InChIInChI=1S/C36H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3
InChIKeySFPJCZDLNJKIQD-UHFFFAOYSA-N
XLogP12.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.94
LogP ≤ 512.20
H-Bond Donors ≤ 51
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-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine?
The IUPAC name of N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine (CID 54303074) is N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine.
What is the SMILES notation for N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine?
The canonical SMILES for N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine is CCCCCC=CCC=CCCCCCCCCNCCCCCCCCC=CCC=CCCCCC.
What is the InChIKey of N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine?
The InChIKey is SFPJCZDLNJKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3.
What are the key properties of N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine?
N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine has a molecular weight of 513.94 g/mol, XLogP of 12.20, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadeca-9,12-dienyloctadeca-9,12-dien-1-amine is sourced from PubChem (CID 54303074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).