N-tetradecyltridecan-1-imine

C27H55N — CID 175147598

IUPACN-tetradecyltridecan-1-imine
SMILESCCCCCCCCCCCC/C=N/CCCCCCCCCCCCCC
InChIInChI=1S/C27H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25,27H2,1-2H3/b28-26+
InChIKeyZFWHHZLQWMZVRD-BYCLXTJYSA-N
MW393.74 g/mol
LogP10.07
Rot. Bonds24

About N-tetradecyltridecan-1-imine

N-tetradecyltridecan-1-imine (PubChem CID 175147598) has the molecular formula C27H55N and a molecular weight of 393.74 g/mol. Its IUPAC name is N-tetradecyltridecan-1-imine.

Molecular Properties

Compound NameN-tetradecyltridecan-1-imine
PubChem CID175147598
Molecular FormulaC27H55N
Molecular Weight393.74 g/mol
Exact Mass393.43
IUPAC NameN-tetradecyltridecan-1-imine
SMILESCCCCCCCCCCCC/C=N/CCCCCCCCCCCCCC
InChIInChI=1S/C27H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25,27H2,1-2H3/b28-26+
InChIKeyZFWHHZLQWMZVRD-BYCLXTJYSA-N
XLogP10.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.74
LogP ≤ 510.07
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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Related Compounds

N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N,N'-didecylpentane-1,5-diimine
CID 118371796
2-(hexylideneamino)ethanol
CID 130130159
N-methyloctadecan-1-imine
CID 54409483
3-[dimethyl(prop-1-enyl)silyl]-N-hexylpropan-1-imine
CID 173072145
3-octadec-9-enylimino-N-propylpropan-1-amine
CID 173366405
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
N-(3-trimethoxysilylpropyl)hexan-1-imine
CID 87448623
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine
CID 87397255

Frequently Asked Questions

What is the IUPAC name of N-tetradecyltridecan-1-imine?
The IUPAC name of N-tetradecyltridecan-1-imine (CID 175147598) is N-tetradecyltridecan-1-imine.
What is the SMILES notation for N-tetradecyltridecan-1-imine?
The canonical SMILES for N-tetradecyltridecan-1-imine is CCCCCCCCCCCC/C=N/CCCCCCCCCCCCCC.
What is the InChIKey of N-tetradecyltridecan-1-imine?
The InChIKey is ZFWHHZLQWMZVRD-BYCLXTJYSA-N. The full InChI is InChI=1S/C27H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25,27H2,1-2H3/b28-26+.
What are the key properties of N-tetradecyltridecan-1-imine?
N-tetradecyltridecan-1-imine has a molecular weight of 393.74 g/mol, XLogP of 10.07, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecyltridecan-1-imine is sourced from PubChem (CID 175147598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).