5-cycloheptylimino-3,3-dimethylcyclohexan-1-one

C15H25NO — CID 7307155

IUPAC5-cycloheptylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCCCCC2)C1
InChIInChI=1S/C15H25NO/c1-15(2)10-13(9-14(17)11-15)16-12-7-5-3-4-6-8-12/h12H,3-11H2,1-2H3/b16-13+
InChIKeyMBWAAZUVRKSUGP-DTQAZKPQSA-N
MW235.37 g/mol
LogP3.93
Rot. Bonds1

About 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one

5-cycloheptylimino-3,3-dimethylcyclohexan-1-one (PubChem CID 7307155) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-cycloheptylimino-3,3-dimethylcyclohexan-1-one
PubChem CID7307155
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-cycloheptylimino-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\C2CCCCCC2)C1
InChIInChI=1S/C15H25NO/c1-15(2)10-13(9-14(17)11-15)16-12-7-5-3-4-6-8-12/h12H,3-11H2,1-2H3/b16-13+
InChIKeyMBWAAZUVRKSUGP-DTQAZKPQSA-N
XLogP3.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.93
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

N-(2-Acetylcyclopentylidene)cyclohexylamine
CID 610112
(5z)-3,3-Dimethyl-5-(methylimino)cyclohexanone
CID 238695
3,3-Dimethyl-5-propyliminocyclohexan-1-one
CID 7309587
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
5-Cyclopropylimino-3,3-dimethylcyclohexan-1-one
CID 8025300
5-Cyclohexylimino-3,3-dimethylcyclohexan-1-one
CID 8025462
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934
2-Ethylimino-4,4-dimethylcyclohexan-1-one
CID 56989613
3-Ethylimino-4,4-dimethylcyclohexan-1-one
CID 57031861
5-Hexylimino-3,3-dimethylcyclohexan-1-one
CID 57088225
4,4-Dimethyl-2-methyliminocyclohexan-1-one
CID 57089896
4,4-Dimethyl-2-propyliminocyclohexan-1-one
CID 57156006

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one (CID 7307155) is 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one is CC1(C)CC(=O)C/C(=N\C2CCCCCC2)C1.
What is the InChIKey of 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one?
The InChIKey is MBWAAZUVRKSUGP-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2)10-13(9-14(17)11-15)16-12-7-5-3-4-6-8-12/h12H,3-11H2,1-2H3/b16-13+.
What are the key properties of 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one?
5-cycloheptylimino-3,3-dimethylcyclohexan-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptylimino-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 7307155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).