N,N'-didecylpentane-1,5-diimine

C25H50N2 — CID 118371796

IUPACN,N'-didecylpentane-1,5-diimine
SMILESCCCCCCCCCC/N=C/CCC/C=N/CCCCCCCCCC
InChIInChI=1S/C25H50N2/c1-3-5-7-9-11-13-15-18-22-26-24-20-17-21-25-27-23-19-16-14-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3/b26-24+,27-25+
InChIKeyIOXQYULHTKGQHE-OWUYFMIJSA-N
MW378.69 g/mol
LogP8.58
Rot. Bonds22

About N,N'-didecylpentane-1,5-diimine

N,N'-didecylpentane-1,5-diimine (PubChem CID 118371796) has the molecular formula C25H50N2 and a molecular weight of 378.69 g/mol. Its IUPAC name is N,N'-didecylpentane-1,5-diimine.

Molecular Properties

Compound NameN,N'-didecylpentane-1,5-diimine
PubChem CID118371796
Molecular FormulaC25H50N2
Molecular Weight378.69 g/mol
Exact Mass378.40
IUPAC NameN,N'-didecylpentane-1,5-diimine
SMILESCCCCCCCCCC/N=C/CCC/C=N/CCCCCCCCCC
InChIInChI=1S/C25H50N2/c1-3-5-7-9-11-13-15-18-22-26-24-20-17-21-25-27-23-19-16-14-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3/b26-24+,27-25+
InChIKeyIOXQYULHTKGQHE-OWUYFMIJSA-N
XLogP8.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 58.58
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'}

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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-tetradecyltridecan-1-imine
CID 175147598
3-[dimethyl(prop-1-enyl)silyl]-N-hexylpropan-1-imine
CID 173072145
2-(hexylideneamino)ethanol
CID 130130159
N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine
CID 87397255
5-(butylideneamino)pentan-1-amine
CID 58308982
N-methyloctadecan-1-imine
CID 54409483
3-octadec-9-enylimino-N-propylpropan-1-amine
CID 173366405
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
N-octylprop-2-en-1-imine
CID 174329856

Frequently Asked Questions

What is the IUPAC name of N,N'-didecylpentane-1,5-diimine?
The IUPAC name of N,N'-didecylpentane-1,5-diimine (CID 118371796) is N,N'-didecylpentane-1,5-diimine.
What is the SMILES notation for N,N'-didecylpentane-1,5-diimine?
The canonical SMILES for N,N'-didecylpentane-1,5-diimine is CCCCCCCCCC/N=C/CCC/C=N/CCCCCCCCCC.
What is the InChIKey of N,N'-didecylpentane-1,5-diimine?
The InChIKey is IOXQYULHTKGQHE-OWUYFMIJSA-N. The full InChI is InChI=1S/C25H50N2/c1-3-5-7-9-11-13-15-18-22-26-24-20-17-21-25-27-23-19-16-14-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3/b26-24+,27-25+.
What are the key properties of N,N'-didecylpentane-1,5-diimine?
N,N'-didecylpentane-1,5-diimine has a molecular weight of 378.69 g/mol, XLogP of 8.58, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-didecylpentane-1,5-diimine is sourced from PubChem (CID 118371796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).