1-cyclohexylimino-4,4-dimethylpentan-3-one

C13H23NO — CID 86232034

IUPAC1-cyclohexylimino-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C/C=N/C1CCCCC1
InChIInChI=1S/C13H23NO/c1-13(2,3)12(15)9-10-14-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3/b14-10+
InChIKeyFZURDPIGUFNGFF-GXDHUFHOSA-N
MW209.33 g/mol
LogP3.40
Rot. Bonds3

About 1-cyclohexylimino-4,4-dimethylpentan-3-one

1-cyclohexylimino-4,4-dimethylpentan-3-one (PubChem CID 86232034) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclohexylimino-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-cyclohexylimino-4,4-dimethylpentan-3-one
PubChem CID86232034
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclohexylimino-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C/C=N/C1CCCCC1
InChIInChI=1S/C13H23NO/c1-13(2,3)12(15)9-10-14-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3/b14-10+
InChIKeyFZURDPIGUFNGFF-GXDHUFHOSA-N
XLogP3.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.40
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

2-tert-butyl-4,5-dihydro-2H-pyridin-3-one
CID 57256695
2,2-Dimethyl-6-(2-methylbutylideneamino)hexan-3-one
CID 174310714

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylimino-4,4-dimethylpentan-3-one?
The IUPAC name of 1-cyclohexylimino-4,4-dimethylpentan-3-one (CID 86232034) is 1-cyclohexylimino-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-cyclohexylimino-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-cyclohexylimino-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)C/C=N/C1CCCCC1.
What is the InChIKey of 1-cyclohexylimino-4,4-dimethylpentan-3-one?
The InChIKey is FZURDPIGUFNGFF-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2,3)12(15)9-10-14-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3/b14-10+.
What are the key properties of 1-cyclohexylimino-4,4-dimethylpentan-3-one?
1-cyclohexylimino-4,4-dimethylpentan-3-one has a molecular weight of 209.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylimino-4,4-dimethylpentan-3-one is sourced from PubChem (CID 86232034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).