2-(2-iminocyclohexyl)oxycyclohexan-1-imine

C12H20N2O — CID 142264096

IUPAC2-(2-iminocyclohexyl)oxycyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1OC1CCCC/C1=N\[H]
InChIInChI=1S/C12H20N2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h11-14H,1-8H2/b13-9+,14-10+
InChIKeyZQOQEPYJMXKQHP-UTLPMFLDSA-N
MW208.30 g/mol
LogP2.93
Rot. Bonds2

About 2-(2-iminocyclohexyl)oxycyclohexan-1-imine

2-(2-iminocyclohexyl)oxycyclohexan-1-imine (PubChem CID 142264096) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-iminocyclohexyl)oxycyclohexan-1-imine.

Molecular Properties

Compound Name2-(2-iminocyclohexyl)oxycyclohexan-1-imine
PubChem CID142264096
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(2-iminocyclohexyl)oxycyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1OC1CCCC/C1=N\[H]
InChIInChI=1S/C12H20N2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h11-14H,1-8H2/b13-9+,14-10+
InChIKeyZQOQEPYJMXKQHP-UTLPMFLDSA-N
XLogP2.93
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iminocyclohexyl)oxycyclohexan-1-imine?
The IUPAC name of 2-(2-iminocyclohexyl)oxycyclohexan-1-imine (CID 142264096) is 2-(2-iminocyclohexyl)oxycyclohexan-1-imine.
What is the SMILES notation for 2-(2-iminocyclohexyl)oxycyclohexan-1-imine?
The canonical SMILES for 2-(2-iminocyclohexyl)oxycyclohexan-1-imine is [H]/N=C1\CCCCC1OC1CCCC/C1=N\[H].
What is the InChIKey of 2-(2-iminocyclohexyl)oxycyclohexan-1-imine?
The InChIKey is ZQOQEPYJMXKQHP-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H20N2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h11-14H,1-8H2/b13-9+,14-10+.
What are the key properties of 2-(2-iminocyclohexyl)oxycyclohexan-1-imine?
2-(2-iminocyclohexyl)oxycyclohexan-1-imine has a molecular weight of 208.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminocyclohexyl)oxycyclohexan-1-imine is sourced from PubChem (CID 142264096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).