N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine

C23H40N2 — CID 57009148

IUPACN-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine
SMILESCCCCCCCCN=C=C1C=CCC/C1=N\CCCCCCCC
InChIInChI=1S/C23H40N2/c1-3-5-7-9-11-15-19-24-21-22-17-13-14-18-23(22)25-20-16-12-10-8-6-4-2/h13,17H,3-12,14-16,18-20H2,1-2H3/b25-23+
InChIKeyCDNZYAZJGAGHFJ-WJTDDFOZSA-N
MW344.59 g/mol
LogP7.09
Rot. Bonds14

About N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine

N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine (PubChem CID 57009148) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine.

Molecular Properties

Compound NameN-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine
PubChem CID57009148
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC NameN-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine
SMILESCCCCCCCCN=C=C1C=CCC/C1=N\CCCCCCCC
InChIInChI=1S/C23H40N2/c1-3-5-7-9-11-15-19-24-21-22-17-13-14-18-23(22)25-20-16-12-10-8-6-4-2/h13,17H,3-12,14-16,18-20H2,1-2H3/b25-23+
InChIKeyCDNZYAZJGAGHFJ-WJTDDFOZSA-N
XLogP7.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 57.09
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

Lanopylin B1
CID 10087332
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
Lanopylin B2
CID 11279421
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
Cetylpyrroloindole
CID 129796268
1-N,2-N,4,5-tetramethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762103
1-N,2-N,4-trimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762104
1-N,2-N-dimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762105
1-N,2-N-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762106
N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine
CID 54535522
4,5-dihexyl-1-N,2-N-dimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 57564635
1-N,2-N-dimethyl-3,6-bis[(E)-4-propan-2-ylidenenon-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 57822905

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine?
The IUPAC name of N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine (CID 57009148) is N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine.
What is the SMILES notation for N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine?
The canonical SMILES for N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine is CCCCCCCCN=C=C1C=CCC/C1=N\CCCCCCCC.
What is the InChIKey of N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine?
The InChIKey is CDNZYAZJGAGHFJ-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H40N2/c1-3-5-7-9-11-15-19-24-21-22-17-13-14-18-23(22)25-20-16-12-10-8-6-4-2/h13,17H,3-12,14-16,18-20H2,1-2H3/b25-23+.
What are the key properties of N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine?
N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine has a molecular weight of 344.59 g/mol, XLogP of 7.09, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine is sourced from PubChem (CID 57009148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).