N-henicosan-11-yltetradecan-1-imine

C35H71N — CID 54568305

IUPACN-henicosan-11-yltetradecan-1-imine
SMILESCCCCCCCCCCCCC/C=N/C(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C35H71N/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-36-35(32-29-26-23-17-14-11-8-5-2)33-30-27-24-18-15-12-9-6-3/h34-35H,4-33H2,1-3H3/b36-34+
InChIKeyZVKNAKLLKYDFHM-JMUUFCRMSA-N
MW505.96 g/mol
LogP13.19
Rot. Bonds31

About N-henicosan-11-yltetradecan-1-imine

N-henicosan-11-yltetradecan-1-imine (PubChem CID 54568305) has the molecular formula C35H71N and a molecular weight of 505.96 g/mol. Its IUPAC name is N-henicosan-11-yltetradecan-1-imine.

Molecular Properties

Compound NameN-henicosan-11-yltetradecan-1-imine
PubChem CID54568305
Molecular FormulaC35H71N
Molecular Weight505.96 g/mol
Exact Mass505.56
IUPAC NameN-henicosan-11-yltetradecan-1-imine
SMILESCCCCCCCCCCCCC/C=N/C(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C35H71N/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-36-35(32-29-26-23-17-14-11-8-5-2)33-30-27-24-18-15-12-9-6-3/h34-35H,4-33H2,1-3H3/b36-34+
InChIKeyZVKNAKLLKYDFHM-JMUUFCRMSA-N
XLogP13.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.96
LogP ≤ 513.19
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'}

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Frequently Asked Questions

What is the IUPAC name of N-henicosan-11-yltetradecan-1-imine?
The IUPAC name of N-henicosan-11-yltetradecan-1-imine (CID 54568305) is N-henicosan-11-yltetradecan-1-imine.
What is the SMILES notation for N-henicosan-11-yltetradecan-1-imine?
The canonical SMILES for N-henicosan-11-yltetradecan-1-imine is CCCCCCCCCCCCC/C=N/C(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of N-henicosan-11-yltetradecan-1-imine?
The InChIKey is ZVKNAKLLKYDFHM-JMUUFCRMSA-N. The full InChI is InChI=1S/C35H71N/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-36-35(32-29-26-23-17-14-11-8-5-2)33-30-27-24-18-15-12-9-6-3/h34-35H,4-33H2,1-3H3/b36-34+.
What are the key properties of N-henicosan-11-yltetradecan-1-imine?
N-henicosan-11-yltetradecan-1-imine has a molecular weight of 505.96 g/mol, XLogP of 13.19, 31 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-henicosan-11-yltetradecan-1-imine is sourced from PubChem (CID 54568305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).