N-[(E)-octadecylideneamino]octadecan-1-amine

C36H74N2 — CID 91745961

IUPACN-[(E)-octadecylideneamino]octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCC/C=N/NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,38H,3-34,36H2,1-2H3/b37-35+
InChIKeyFAEWLUBGOQHGJG-MHAUTQJVSA-N
MW535.00 g/mol
LogP13.08
Rot. Bonds34

About N-[(E)-octadecylideneamino]octadecan-1-amine

N-[(E)-octadecylideneamino]octadecan-1-amine (PubChem CID 91745961) has the molecular formula C36H74N2 and a molecular weight of 535.00 g/mol. Its IUPAC name is N-[(E)-octadecylideneamino]octadecan-1-amine.

Molecular Properties

Compound NameN-[(E)-octadecylideneamino]octadecan-1-amine
PubChem CID91745961
Molecular FormulaC36H74N2
Molecular Weight535.00 g/mol
Exact Mass534.59
IUPAC NameN-[(E)-octadecylideneamino]octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCC/C=N/NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,38H,3-34,36H2,1-2H3/b37-35+
InChIKeyFAEWLUBGOQHGJG-MHAUTQJVSA-N
XLogP13.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.00
LogP ≤ 513.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-octadecylideneamino]octadecan-1-amine?
The IUPAC name of N-[(E)-octadecylideneamino]octadecan-1-amine (CID 91745961) is N-[(E)-octadecylideneamino]octadecan-1-amine.
What is the SMILES notation for N-[(E)-octadecylideneamino]octadecan-1-amine?
The canonical SMILES for N-[(E)-octadecylideneamino]octadecan-1-amine is CCCCCCCCCCCCCCCCC/C=N/NCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[(E)-octadecylideneamino]octadecan-1-amine?
The InChIKey is FAEWLUBGOQHGJG-MHAUTQJVSA-N. The full InChI is InChI=1S/C36H74N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,38H,3-34,36H2,1-2H3/b37-35+.
What are the key properties of N-[(E)-octadecylideneamino]octadecan-1-amine?
N-[(E)-octadecylideneamino]octadecan-1-amine has a molecular weight of 535.00 g/mol, XLogP of 13.08, 34 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-octadecylideneamino]octadecan-1-amine is sourced from PubChem (CID 91745961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).