N-methyloctadecan-1-imine

C19H39N — CID 54409483

IUPACN-methyloctadecan-1-imine
SMILESCCCCCCCCCCCCCCCCC/C=N/C
InChIInChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h19H,3-18H2,1-2H3/b20-19+
InChIKeyVTBZTVWCKYNUJC-FMQUCBEESA-N
MW281.53 g/mol
LogP6.95
Rot. Bonds16

About N-methyloctadecan-1-imine

N-methyloctadecan-1-imine (PubChem CID 54409483) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-methyloctadecan-1-imine.

Molecular Properties

Compound NameN-methyloctadecan-1-imine
PubChem CID54409483
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-methyloctadecan-1-imine
SMILESCCCCCCCCCCCCCCCCC/C=N/C
InChIInChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h19H,3-18H2,1-2H3/b20-19+
InChIKeyVTBZTVWCKYNUJC-FMQUCBEESA-N
XLogP6.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.95
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,N'-dimethylheptane-1,7-diimine
CID 159923520
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-tetradecyltridecan-1-imine
CID 175147598
N-hexyldecan-1-imine
CID 174719675
(NE)-N-octylidenehydroxylamine
CID 5385260
N,N'-didecylpentane-1,5-diimine
CID 118371796
N-octylideneformamide
CID 57254317
N-dodecylideneformamide
CID 57101049
alumane;hexadecane
CID 173005207
alumane;dodecane
CID 173445069

Frequently Asked Questions

What is the IUPAC name of N-methyloctadecan-1-imine?
The IUPAC name of N-methyloctadecan-1-imine (CID 54409483) is N-methyloctadecan-1-imine.
What is the SMILES notation for N-methyloctadecan-1-imine?
The canonical SMILES for N-methyloctadecan-1-imine is CCCCCCCCCCCCCCCCC/C=N/C.
What is the InChIKey of N-methyloctadecan-1-imine?
The InChIKey is VTBZTVWCKYNUJC-FMQUCBEESA-N. The full InChI is InChI=1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h19H,3-18H2,1-2H3/b20-19+.
What are the key properties of N-methyloctadecan-1-imine?
N-methyloctadecan-1-imine has a molecular weight of 281.53 g/mol, XLogP of 6.95, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloctadecan-1-imine is sourced from PubChem (CID 54409483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).