N-tetradecylhexadecan-1-imine

C30H61N — CID 166594922

IUPACN-tetradecylhexadecan-1-imine
SMILESCCCCCCCCCCCCCCC/C=N/CCCCCCCCCCCCCC
InChIInChI=1S/C30H61N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3/b31-30+
InChIKeyBAXISLHVFPNSAE-NVQSTNCTSA-N
MW435.83 g/mol
LogP11.24
Rot. Bonds27

About N-tetradecylhexadecan-1-imine

N-tetradecylhexadecan-1-imine (PubChem CID 166594922) has the molecular formula C30H61N and a molecular weight of 435.83 g/mol. Its IUPAC name is N-tetradecylhexadecan-1-imine.

Molecular Properties

Compound NameN-tetradecylhexadecan-1-imine
PubChem CID166594922
Molecular FormulaC30H61N
Molecular Weight435.83 g/mol
Exact Mass435.48
IUPAC NameN-tetradecylhexadecan-1-imine
SMILESCCCCCCCCCCCCCCC/C=N/CCCCCCCCCCCCCC
InChIInChI=1S/C30H61N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3/b31-30+
InChIKeyBAXISLHVFPNSAE-NVQSTNCTSA-N
XLogP11.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 511.24
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-tetradecylhexadecan-1-imine?
The IUPAC name of N-tetradecylhexadecan-1-imine (CID 166594922) is N-tetradecylhexadecan-1-imine.
What is the SMILES notation for N-tetradecylhexadecan-1-imine?
The canonical SMILES for N-tetradecylhexadecan-1-imine is CCCCCCCCCCCCCCC/C=N/CCCCCCCCCCCCCC.
What is the InChIKey of N-tetradecylhexadecan-1-imine?
The InChIKey is BAXISLHVFPNSAE-NVQSTNCTSA-N. The full InChI is InChI=1S/C30H61N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3/b31-30+.
What are the key properties of N-tetradecylhexadecan-1-imine?
N-tetradecylhexadecan-1-imine has a molecular weight of 435.83 g/mol, XLogP of 11.24, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecylhexadecan-1-imine is sourced from PubChem (CID 166594922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).