N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine

C23H40N2 — CID 54535522

IUPACN-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine
SMILESCCCCCCCC/N=C/C1=CC=CC/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/h13-14,17,21H,3-12,15-16,18-20H2,1-2H3/b24-21+,25-23+
InChIKeyKGCRZYLXGLPYKO-OJKLJAQXSA-N
MW344.59 g/mol
LogP7.11
Rot. Bonds15

About N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine

N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine (PubChem CID 54535522) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine
PubChem CID54535522
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC NameN-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine
SMILESCCCCCCCC/N=C/C1=CC=CC/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/h13-14,17,21H,3-12,15-16,18-20H2,1-2H3/b24-21+,25-23+
InChIKeyKGCRZYLXGLPYKO-OJKLJAQXSA-N
XLogP7.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 57.11
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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Frequently Asked Questions

What is the IUPAC name of N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine (CID 54535522) is N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine is CCCCCCCC/N=C/C1=CC=CC/C1=N\CCCCCCCC.
What is the InChIKey of N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is KGCRZYLXGLPYKO-OJKLJAQXSA-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/h13-14,17,21H,3-12,15-16,18-20H2,1-2H3/b24-21+,25-23+.
What are the key properties of N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine?
N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 344.59 g/mol, XLogP of 7.11, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 54535522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).