N-(cyclooctadecylideneamino)cyclooctadecanimine

C36H68N2 — CID 22178407

IUPACN-(cyclooctadecylideneamino)cyclooctadecanimine
SMILESC1CCCCCCCCC(=NN=C2CCCCCCCCCCCCCCCCC2)CCCCCCCC1
InChIInChI=1S/C36H68N2/c1-3-7-11-15-19-23-27-31-35(32-28-24-20-16-12-8-4-1)37-38-36-33-29-25-21-17-13-9-5-2-6-10-14-18-22-26-30-34-36/h1-34H2
InChIKeyNVAZVXPXLJQYBC-UHFFFAOYSA-N
MW528.95 g/mol
LogP13.07
Rot. Bonds1

About N-(cyclooctadecylideneamino)cyclooctadecanimine

N-(cyclooctadecylideneamino)cyclooctadecanimine (PubChem CID 22178407) has the molecular formula C36H68N2 and a molecular weight of 528.95 g/mol. Its IUPAC name is N-(cyclooctadecylideneamino)cyclooctadecanimine.

Molecular Properties

Compound NameN-(cyclooctadecylideneamino)cyclooctadecanimine
PubChem CID22178407
Molecular FormulaC36H68N2
Molecular Weight528.95 g/mol
Exact Mass528.54
IUPAC NameN-(cyclooctadecylideneamino)cyclooctadecanimine
SMILESC1CCCCCCCCC(=NN=C2CCCCCCCCCCCCCCCCC2)CCCCCCCC1
InChIInChI=1S/C36H68N2/c1-3-7-11-15-19-23-27-31-35(32-28-24-20-16-12-8-4-1)37-38-36-33-29-25-21-17-13-9-5-2-6-10-14-18-22-26-30-34-36/h1-34H2
InChIKeyNVAZVXPXLJQYBC-UHFFFAOYSA-N
XLogP13.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.95
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(cyclooctadecylideneamino)cyclooctadecanimine?
The IUPAC name of N-(cyclooctadecylideneamino)cyclooctadecanimine (CID 22178407) is N-(cyclooctadecylideneamino)cyclooctadecanimine.
What is the SMILES notation for N-(cyclooctadecylideneamino)cyclooctadecanimine?
The canonical SMILES for N-(cyclooctadecylideneamino)cyclooctadecanimine is C1CCCCCCCCC(=NN=C2CCCCCCCCCCCCCCCCC2)CCCCCCCC1.
What is the InChIKey of N-(cyclooctadecylideneamino)cyclooctadecanimine?
The InChIKey is NVAZVXPXLJQYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H68N2/c1-3-7-11-15-19-23-27-31-35(32-28-24-20-16-12-8-4-1)37-38-36-33-29-25-21-17-13-9-5-2-6-10-14-18-22-26-30-34-36/h1-34H2.
What are the key properties of N-(cyclooctadecylideneamino)cyclooctadecanimine?
N-(cyclooctadecylideneamino)cyclooctadecanimine has a molecular weight of 528.95 g/mol, XLogP of 13.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctadecylideneamino)cyclooctadecanimine is sourced from PubChem (CID 22178407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).