1-N,4-N-dioctylcyclohexane-1,4-diimine

C22H42N2 — CID 70365048

IUPAC1-N,4-N-dioctylcyclohexane-1,4-diimine
SMILESCCCCCCCCN=C1CCC(=NCCCCCCCC)CC1
InChIInChI=1S/C22H42N2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h3-20H2,1-2H3/b23-21-,24-22+
InChIKeyMZAWMDWNALKJPQ-MMUCEYJRSA-N
MW334.59 g/mol
LogP7.16
Rot. Bonds14

About 1-N,4-N-dioctylcyclohexane-1,4-diimine

1-N,4-N-dioctylcyclohexane-1,4-diimine (PubChem CID 70365048) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-N,4-N-dioctylcyclohexane-1,4-diimine.

Molecular Properties

Compound Name1-N,4-N-dioctylcyclohexane-1,4-diimine
PubChem CID70365048
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name1-N,4-N-dioctylcyclohexane-1,4-diimine
SMILESCCCCCCCCN=C1CCC(=NCCCCCCCC)CC1
InChIInChI=1S/C22H42N2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h3-20H2,1-2H3/b23-21-,24-22+
InChIKeyMZAWMDWNALKJPQ-MMUCEYJRSA-N
XLogP7.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.16
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 1-N,4-N-dioctylcyclohexane-1,4-diimine?
The IUPAC name of 1-N,4-N-dioctylcyclohexane-1,4-diimine (CID 70365048) is 1-N,4-N-dioctylcyclohexane-1,4-diimine.
What is the SMILES notation for 1-N,4-N-dioctylcyclohexane-1,4-diimine?
The canonical SMILES for 1-N,4-N-dioctylcyclohexane-1,4-diimine is CCCCCCCCN=C1CCC(=NCCCCCCCC)CC1.
What is the InChIKey of 1-N,4-N-dioctylcyclohexane-1,4-diimine?
The InChIKey is MZAWMDWNALKJPQ-MMUCEYJRSA-N. The full InChI is InChI=1S/C22H42N2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h3-20H2,1-2H3/b23-21-,24-22+.
What are the key properties of 1-N,4-N-dioctylcyclohexane-1,4-diimine?
1-N,4-N-dioctylcyclohexane-1,4-diimine has a molecular weight of 334.59 g/mol, XLogP of 7.16, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dioctylcyclohexane-1,4-diimine is sourced from PubChem (CID 70365048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).