2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine

C12H23N — CID 86057286

IUPAC2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine
SMILESCC(C)CN=C1C(C)CCCC1C
InChIInChI=1S/C12H23N/c1-9(2)8-13-12-10(3)6-5-7-11(12)4/h9-11H,5-8H2,1-4H3
InChIKeyOHUVGMKGEDOOKL-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.54
Rot. Bonds2

About 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine

2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine (PubChem CID 86057286) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine
PubChem CID86057286
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine
SMILESCC(C)CN=C1C(C)CCCC1C
InChIInChI=1S/C12H23N/c1-9(2)8-13-12-10(3)6-5-7-11(12)4/h9-11H,5-8H2,1-4H3
InChIKeyOHUVGMKGEDOOKL-UHFFFAOYSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine?
The IUPAC name of 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine (CID 86057286) is 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine.
What is the SMILES notation for 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine?
The canonical SMILES for 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine is CC(C)CN=C1C(C)CCCC1C.
What is the InChIKey of 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine?
The InChIKey is OHUVGMKGEDOOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)8-13-12-10(3)6-5-7-11(12)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine?
2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-methylpropyl)cyclohexan-1-imine is sourced from PubChem (CID 86057286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).