N-(pentadecylideneamino)pentadecan-1-imine

C30H60N2 — CID 88831518

IUPACN-(pentadecylideneamino)pentadecan-1-imine
SMILESCCCCCCCCCCCCCCC=NN=CCCCCCCCCCCCCCC
InChIInChI=1S/C30H60N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
InChIKeyGOXLQWPGPRINSY-UHFFFAOYSA-N
MW448.82 g/mol
LogP11.23
Rot. Bonds27

About N-(pentadecylideneamino)pentadecan-1-imine

N-(pentadecylideneamino)pentadecan-1-imine (PubChem CID 88831518) has the molecular formula C30H60N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is N-(pentadecylideneamino)pentadecan-1-imine.

Molecular Properties

Compound NameN-(pentadecylideneamino)pentadecan-1-imine
PubChem CID88831518
Molecular FormulaC30H60N2
Molecular Weight448.82 g/mol
Exact Mass448.48
IUPAC NameN-(pentadecylideneamino)pentadecan-1-imine
SMILESCCCCCCCCCCCCCCC=NN=CCCCCCCCCCCCCCC
InChIInChI=1S/C30H60N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
InChIKeyGOXLQWPGPRINSY-UHFFFAOYSA-N
XLogP11.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyloctadecan-1-imine
CID 54409483
(NE)-N-octylidenehydroxylamine
CID 5385260
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
N-octylideneformamide
CID 57254317
N-dodecylideneformamide
CID 57101049
alumane;hexadecane
CID 173005207
alumane;dodecane
CID 173445069
[(E)-heptylideneamino]-trimethylazanium iodide
CID 54607159
N-(dodecylideneamino)hydroxylamine
CID 91556209

Frequently Asked Questions

What is the IUPAC name of N-(pentadecylideneamino)pentadecan-1-imine?
The IUPAC name of N-(pentadecylideneamino)pentadecan-1-imine (CID 88831518) is N-(pentadecylideneamino)pentadecan-1-imine.
What is the SMILES notation for N-(pentadecylideneamino)pentadecan-1-imine?
The canonical SMILES for N-(pentadecylideneamino)pentadecan-1-imine is CCCCCCCCCCCCCCC=NN=CCCCCCCCCCCCCCC.
What is the InChIKey of N-(pentadecylideneamino)pentadecan-1-imine?
The InChIKey is GOXLQWPGPRINSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3.
What are the key properties of N-(pentadecylideneamino)pentadecan-1-imine?
N-(pentadecylideneamino)pentadecan-1-imine has a molecular weight of 448.82 g/mol, XLogP of 11.23, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentadecylideneamino)pentadecan-1-imine is sourced from PubChem (CID 88831518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).