N-icos-1-enylicosan-1-imine

C40H79N — CID 54448965

IUPACN-icos-1-enylicosan-1-imine
SMILESCCCCCCCCCCCCCCCCCCC=C/N=C/CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H79N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,39-40H,3-36,38H2,1-2H3/b39-37?,41-40+
InChIKeyWTOSSEOCKLGDFB-ITXFYJNHSA-N
MW574.08 g/mol
LogP15.26
Rot. Bonds36

About N-icos-1-enylicosan-1-imine

N-icos-1-enylicosan-1-imine (PubChem CID 54448965) has the molecular formula C40H79N and a molecular weight of 574.08 g/mol. Its IUPAC name is N-icos-1-enylicosan-1-imine.

Molecular Properties

Compound NameN-icos-1-enylicosan-1-imine
PubChem CID54448965
Molecular FormulaC40H79N
Molecular Weight574.08 g/mol
Exact Mass573.62
IUPAC NameN-icos-1-enylicosan-1-imine
SMILESCCCCCCCCCCCCCCCCCCC=C/N=C/CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H79N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,39-40H,3-36,38H2,1-2H3/b39-37?,41-40+
InChIKeyWTOSSEOCKLGDFB-ITXFYJNHSA-N
XLogP15.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.08
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-icos-1-enylicosan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-icos-1-enylicosan-1-imine?
The IUPAC name of N-icos-1-enylicosan-1-imine (CID 54448965) is N-icos-1-enylicosan-1-imine.
What is the SMILES notation for N-icos-1-enylicosan-1-imine?
The canonical SMILES for N-icos-1-enylicosan-1-imine is CCCCCCCCCCCCCCCCCCC=C/N=C/CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-icos-1-enylicosan-1-imine?
The InChIKey is WTOSSEOCKLGDFB-ITXFYJNHSA-N. The full InChI is InChI=1S/C40H79N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,39-40H,3-36,38H2,1-2H3/b39-37?,41-40+.
What are the key properties of N-icos-1-enylicosan-1-imine?
N-icos-1-enylicosan-1-imine has a molecular weight of 574.08 g/mol, XLogP of 15.26, 36 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-icos-1-enylicosan-1-imine is sourced from PubChem (CID 54448965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).