cyclohexanone;N-methylcyclohexanimine;molecular hydrogen

C13H27NO — CID 158509911

IUPACcyclohexanone;N-methylcyclohexanimine;molecular hydrogen
SMILESCN=C1CCCCC1.O=C1CCCCC1.[H][H].[H][H]
InChIInChI=1S/C7H13N.C6H10O.2H2/c1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;;/h2-6H2,1H3;1-5H2;2*1H
InChIKeyHKXPPIUTTYBFPU-UHFFFAOYSA-N
MW213.36 g/mol
LogP4.03
Rot. Bonds

About cyclohexanone;N-methylcyclohexanimine;molecular hydrogen

cyclohexanone;N-methylcyclohexanimine;molecular hydrogen (PubChem CID 158509911) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is cyclohexanone;N-methylcyclohexanimine;molecular hydrogen.

Molecular Properties

Compound Namecyclohexanone;N-methylcyclohexanimine;molecular hydrogen
PubChem CID158509911
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Namecyclohexanone;N-methylcyclohexanimine;molecular hydrogen
SMILESCN=C1CCCCC1.O=C1CCCCC1.[H][H].[H][H]
InChIInChI=1S/C7H13N.C6H10O.2H2/c1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;;/h2-6H2,1H3;1-5H2;2*1H
InChIKeyHKXPPIUTTYBFPU-UHFFFAOYSA-N
XLogP4.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexyliminocyclohexan-1-one
CID 145918566
3-Methyliminocyclohexan-1-one
CID 7157389
2-Methyliminocyclohexan-1-one
CID 18322635
4-Methyliminocyclohexan-1-one
CID 21134185
2,5-Bis(methylimino)cyclohexane-1,4-dione
CID 54568642
4-Hexyliminocyclohexan-1-one
CID 57020745
4,5-Bis(ethylimino)cyclohexane-1,2-dione
CID 57299168
3-Propan-2-yliminocyclohexan-1-one
CID 91012794
4-Ethyliminocyclohexan-1-one
CID 123314800
2-Cyclohexyliminocyclohexan-1-one
CID 154158221
4-Ethyliminoheptan-2-one
CID 154634072
3-Ethyliminocyclohexan-1-one
CID 7157400

Frequently Asked Questions

What is the IUPAC name of cyclohexanone;N-methylcyclohexanimine;molecular hydrogen?
The IUPAC name of cyclohexanone;N-methylcyclohexanimine;molecular hydrogen (CID 158509911) is cyclohexanone;N-methylcyclohexanimine;molecular hydrogen.
What is the SMILES notation for cyclohexanone;N-methylcyclohexanimine;molecular hydrogen?
The canonical SMILES for cyclohexanone;N-methylcyclohexanimine;molecular hydrogen is CN=C1CCCCC1.O=C1CCCCC1.[H][H].[H][H].
What is the InChIKey of cyclohexanone;N-methylcyclohexanimine;molecular hydrogen?
The InChIKey is HKXPPIUTTYBFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C6H10O.2H2/c1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;;/h2-6H2,1H3;1-5H2;2*1H.
What are the key properties of cyclohexanone;N-methylcyclohexanimine;molecular hydrogen?
cyclohexanone;N-methylcyclohexanimine;molecular hydrogen has a molecular weight of 213.36 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;N-methylcyclohexanimine;molecular hydrogen is sourced from PubChem (CID 158509911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).