2,2,6,6-tetramethylcyclohexan-1-imine

C10H19N — CID 13096255

IUPAC2,2,6,6-tetramethylcyclohexan-1-imine
SMILES[H]N=C1C(C)(C)CCCC1(C)C
InChIInChI=1S/C10H19N/c1-9(2)6-5-7-10(3,4)8(9)11/h11H,5-7H2,1-4H3
InChIKeyAETKULCELFYDLQ-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.24
Rot. Bonds

About 2,2,6,6-tetramethylcyclohexan-1-imine

2,2,6,6-tetramethylcyclohexan-1-imine (PubChem CID 13096255) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,2,6,6-tetramethylcyclohexan-1-imine.

Molecular Properties

Compound Name2,2,6,6-tetramethylcyclohexan-1-imine
PubChem CID13096255
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,2,6,6-tetramethylcyclohexan-1-imine
SMILES[H]N=C1C(C)(C)CCCC1(C)C
InChIInChI=1S/C10H19N/c1-9(2)6-5-7-10(3,4)8(9)11/h11H,5-7H2,1-4H3
InChIKeyAETKULCELFYDLQ-UHFFFAOYSA-N
XLogP3.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
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 2,2,6,6-tetramethylcyclohexan-1-imine?
The IUPAC name of 2,2,6,6-tetramethylcyclohexan-1-imine (CID 13096255) is 2,2,6,6-tetramethylcyclohexan-1-imine.
What is the SMILES notation for 2,2,6,6-tetramethylcyclohexan-1-imine?
The canonical SMILES for 2,2,6,6-tetramethylcyclohexan-1-imine is [H]N=C1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethylcyclohexan-1-imine?
The InChIKey is AETKULCELFYDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)6-5-7-10(3,4)8(9)11/h11H,5-7H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethylcyclohexan-1-imine?
2,2,6,6-tetramethylcyclohexan-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylcyclohexan-1-imine is sourced from PubChem (CID 13096255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).