5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one

C11H21NO2 — CID 101171163

IUPAC5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one
SMILESCC(C)C(=O)C/C(=N/CCO)C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)10(12-5-6-13)7-11(14)9(3)4/h8-9,13H,5-7H2,1-4H3/b12-10-
InChIKeyPDGSIHGUABIFAV-BENRWUELSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds6

About 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one

5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one (PubChem CID 101171163) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one.

Molecular Properties

Compound Name5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one
PubChem CID101171163
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one
SMILESCC(C)C(=O)C/C(=N/CCO)C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)10(12-5-6-13)7-11(14)9(3)4/h8-9,13H,5-7H2,1-4H3/b12-10-
InChIKeyPDGSIHGUABIFAV-BENRWUELSA-N
XLogP1.69
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-Hydroxyethylimino)-3,3-dimethylcyclohexan-1-one
CID 7013254
5-(2-Hydroxyethylimino)-2,2-dimethylhexan-3-one
CID 86180038
(6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one
CID 118332963
4-(2-Hydroxyethylimino)-3-methylpentan-2-one
CID 131227268
5-(2-Hydroxyethylimino)heptan-3-one
CID 139343060
3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one
CID 139752183
3-Ethyl-4-(2-hydroxyethylimino)pentan-2-one
CID 139752199
1,7-Bis(2-hydroxyethylimino)-2,6-dimethylheptan-4-one
CID 139757721
5-(2-Hydroxyethylimino)-2,2,6,6-tetramethylheptan-3-one
CID 139890578
6-(Hydroxymethylimino)-2,7-dimethyloctan-3-one
CID 148622332
5-(1-Hydroxyethylimino)heptan-3-one
CID 173815352
5-[(2R)-2-hydroxypropyl]imino-2,6-dimethylheptan-3-one
CID 101171164

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one?
The IUPAC name of 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one (CID 101171163) is 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one.
What is the SMILES notation for 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one?
The canonical SMILES for 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one is CC(C)C(=O)C/C(=N/CCO)C(C)C.
What is the InChIKey of 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one?
The InChIKey is PDGSIHGUABIFAV-BENRWUELSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10(12-5-6-13)7-11(14)9(3)4/h8-9,13H,5-7H2,1-4H3/b12-10-.
What are the key properties of 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one?
5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylimino)-2,6-dimethylheptan-3-one is sourced from PubChem (CID 101171163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).