5-ethylimino-2,2-dimethylhexan-3-one

C10H19NO — CID 87204870

IUPAC5-ethylimino-2,2-dimethylhexan-3-one
SMILESCC/N=C(\C)CC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-11-8(2)7-9(12)10(3,4)5/h6-7H2,1-5H3/b11-8+
InChIKeyXRBFJVAICRRFAG-DHZHZOJOSA-N
MW169.27 g/mol
LogP2.47
Rot. Bonds3

About 5-ethylimino-2,2-dimethylhexan-3-one

5-ethylimino-2,2-dimethylhexan-3-one (PubChem CID 87204870) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-ethylimino-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name5-ethylimino-2,2-dimethylhexan-3-one
PubChem CID87204870
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-ethylimino-2,2-dimethylhexan-3-one
SMILESCC/N=C(\C)CC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-11-8(2)7-9(12)10(3,4)5/h6-7H2,1-5H3/b11-8+
InChIKeyXRBFJVAICRRFAG-DHZHZOJOSA-N
XLogP2.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-ethylimino-2,2-dimethylhexan-3-one?
The IUPAC name of 5-ethylimino-2,2-dimethylhexan-3-one (CID 87204870) is 5-ethylimino-2,2-dimethylhexan-3-one.
What is the SMILES notation for 5-ethylimino-2,2-dimethylhexan-3-one?
The canonical SMILES for 5-ethylimino-2,2-dimethylhexan-3-one is CC/N=C(\C)CC(=O)C(C)(C)C.
What is the InChIKey of 5-ethylimino-2,2-dimethylhexan-3-one?
The InChIKey is XRBFJVAICRRFAG-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-11-8(2)7-9(12)10(3,4)5/h6-7H2,1-5H3/b11-8+.
What are the key properties of 5-ethylimino-2,2-dimethylhexan-3-one?
5-ethylimino-2,2-dimethylhexan-3-one has a molecular weight of 169.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylimino-2,2-dimethylhexan-3-one is sourced from PubChem (CID 87204870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).