N-pentacosylhexacosan-1-imine

C51H103N — CID 21412184

IUPACN-pentacosylhexacosan-1-imine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC/C=N/CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H103N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51H,3-50H2,1-2H3/b52-51+
InChIKeyQHLVUWNQGABVSA-WYYOLBRMSA-N
MW730.39 g/mol
LogP19.43
Rot. Bonds48

About N-pentacosylhexacosan-1-imine

N-pentacosylhexacosan-1-imine (PubChem CID 21412184) has the molecular formula C51H103N and a molecular weight of 730.39 g/mol. Its IUPAC name is N-pentacosylhexacosan-1-imine.

Molecular Properties

Compound NameN-pentacosylhexacosan-1-imine
PubChem CID21412184
Molecular FormulaC51H103N
Molecular Weight730.39 g/mol
Exact Mass729.81
IUPAC NameN-pentacosylhexacosan-1-imine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC/C=N/CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H103N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51H,3-50H2,1-2H3/b52-51+
InChIKeyQHLVUWNQGABVSA-WYYOLBRMSA-N
XLogP19.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds48
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.39
LogP ≤ 519.43
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-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
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-pentacosylhexacosan-1-imine?
The IUPAC name of N-pentacosylhexacosan-1-imine (CID 21412184) is N-pentacosylhexacosan-1-imine.
What is the SMILES notation for N-pentacosylhexacosan-1-imine?
The canonical SMILES for N-pentacosylhexacosan-1-imine is CCCCCCCCCCCCCCCCCCCCCCCCC/C=N/CCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-pentacosylhexacosan-1-imine?
The InChIKey is QHLVUWNQGABVSA-WYYOLBRMSA-N. The full InChI is InChI=1S/C51H103N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51H,3-50H2,1-2H3/b52-51+.
What are the key properties of N-pentacosylhexacosan-1-imine?
N-pentacosylhexacosan-1-imine has a molecular weight of 730.39 g/mol, XLogP of 19.43, 48 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentacosylhexacosan-1-imine is sourced from PubChem (CID 21412184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).