N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine

C28H54N2 — CID 67215736

IUPACN-[2-(undecylideneamino)cyclohexyl]undecan-1-imine
SMILESCCCCCCCCCC/C=N/C1CCCCC1/N=C/CCCCCCCCCC
InChIInChI=1S/C28H54N2/c1-3-5-7-9-11-13-15-17-21-25-29-27-23-19-20-24-28(27)30-26-22-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3/b29-25+,30-26+
InChIKeyIUXQSEOMZZVAJQ-XDHTVYJESA-N
MW418.75 g/mol
LogP9.50
Rot. Bonds20

About N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine

N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine (PubChem CID 67215736) has the molecular formula C28H54N2 and a molecular weight of 418.75 g/mol. Its IUPAC name is N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine.

Molecular Properties

Compound NameN-[2-(undecylideneamino)cyclohexyl]undecan-1-imine
PubChem CID67215736
Molecular FormulaC28H54N2
Molecular Weight418.75 g/mol
Exact Mass418.43
IUPAC NameN-[2-(undecylideneamino)cyclohexyl]undecan-1-imine
SMILESCCCCCCCCCC/C=N/C1CCCCC1/N=C/CCCCCCCCCC
InChIInChI=1S/C28H54N2/c1-3-5-7-9-11-13-15-17-21-25-29-27-23-19-20-24-28(27)30-26-22-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3/b29-25+,30-26+
InChIKeyIUXQSEOMZZVAJQ-XDHTVYJESA-N
XLogP9.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.75
LogP ≤ 59.50
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-cyclohexylnonan-1-imine
CID 10966137
(1E)-N-Cyclohexyloctan-1-imine
CID 12328531
N-cyclohexylpentacosan-10-imine
CID 21412175
N-cyclohexylpentadecan-4-imine
CID 21412220
N-cyclohexylundecan-6-imine
CID 21412223
N-henicosan-11-yltetradecan-1-imine
CID 54568305
N-[(1R,2R)-2-(2,2-dimethylpropylideneamino)cyclohexyl]-2,2-dimethylpropan-1-imine
CID 57797059
N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine
CID 58991575
N,N'-bis-(2,2-dimethylpropylidene)-cyclohexane-1,2-diamine
CID 68452808
N-[(1S,2S)-2-(2,2-dimethylpropylideneamino)cyclohexyl]-2,2-dimethylpropan-1-imine
CID 68488984
1-N,4-N-dioctylcyclohexane-1,4-diimine
CID 70365048
N-[2-(ethylideneamino)cyclohexyl]ethanimine
CID 72483385

Frequently Asked Questions

What is the IUPAC name of N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine?
The IUPAC name of N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine (CID 67215736) is N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine.
What is the SMILES notation for N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine?
The canonical SMILES for N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine is CCCCCCCCCC/C=N/C1CCCCC1/N=C/CCCCCCCCCC.
What is the InChIKey of N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine?
The InChIKey is IUXQSEOMZZVAJQ-XDHTVYJESA-N. The full InChI is InChI=1S/C28H54N2/c1-3-5-7-9-11-13-15-17-21-25-29-27-23-19-20-24-28(27)30-26-22-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3/b29-25+,30-26+.
What are the key properties of N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine?
N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine has a molecular weight of 418.75 g/mol, XLogP of 9.50, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine is sourced from PubChem (CID 67215736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).