6-imino-2,2,4,4-tetramethylcyclohexan-1-one

C10H17NO — CID 57145358

IUPAC6-imino-2,2,4,4-tetramethylcyclohexan-1-one
SMILES[H]/N=C1\CC(C)(C)CC(C)(C)C1=O
InChIInChI=1S/C10H17NO/c1-9(2)5-7(11)8(12)10(3,4)6-9/h11H,5-6H2,1-4H3/b11-7+
InChIKeyWUNPFWKTNFOPOC-YRNVUSSQSA-N
MW167.25 g/mol
LogP2.42
Rot. Bonds

About 6-imino-2,2,4,4-tetramethylcyclohexan-1-one

6-imino-2,2,4,4-tetramethylcyclohexan-1-one (PubChem CID 57145358) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-imino-2,2,4,4-tetramethylcyclohexan-1-one.

Molecular Properties

Compound Name6-imino-2,2,4,4-tetramethylcyclohexan-1-one
PubChem CID57145358
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-imino-2,2,4,4-tetramethylcyclohexan-1-one
SMILES[H]/N=C1\CC(C)(C)CC(C)(C)C1=O
InChIInChI=1S/C10H17NO/c1-9(2)5-7(11)8(12)10(3,4)6-9/h11H,5-6H2,1-4H3/b11-7+
InChIKeyWUNPFWKTNFOPOC-YRNVUSSQSA-N
XLogP2.42
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-2,2,4,4-tetramethylcyclohexan-1-one?
The IUPAC name of 6-imino-2,2,4,4-tetramethylcyclohexan-1-one (CID 57145358) is 6-imino-2,2,4,4-tetramethylcyclohexan-1-one.
What is the SMILES notation for 6-imino-2,2,4,4-tetramethylcyclohexan-1-one?
The canonical SMILES for 6-imino-2,2,4,4-tetramethylcyclohexan-1-one is [H]/N=C1\CC(C)(C)CC(C)(C)C1=O.
What is the InChIKey of 6-imino-2,2,4,4-tetramethylcyclohexan-1-one?
The InChIKey is WUNPFWKTNFOPOC-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)5-7(11)8(12)10(3,4)6-9/h11H,5-6H2,1-4H3/b11-7+.
What are the key properties of 6-imino-2,2,4,4-tetramethylcyclohexan-1-one?
6-imino-2,2,4,4-tetramethylcyclohexan-1-one has a molecular weight of 167.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2,2,4,4-tetramethylcyclohexan-1-one is sourced from PubChem (CID 57145358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).