5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one

C14H28N2O — CID 87305222

IUPAC5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one
SMILESCCN(CC)CC/N=C(\C)CC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-7-16(8-2)10-9-15-12(3)11-13(17)14(4,5)6/h7-11H2,1-6H3/b15-12+
InChIKeyOMPMLFBRLBCHGW-NTCAYCPXSA-N
MW240.39 g/mol
LogP2.79
Rot. Bonds7

About 5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one

5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one (PubChem CID 87305222) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one
PubChem CID87305222
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one
SMILESCCN(CC)CC/N=C(\C)CC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-7-16(8-2)10-9-15-12(3)11-13(17)14(4,5)6/h7-11H2,1-6H3/b15-12+
InChIKeyOMPMLFBRLBCHGW-NTCAYCPXSA-N
XLogP2.79
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one?
The IUPAC name of 5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one (CID 87305222) is 5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one.
What is the SMILES notation for 5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one?
The canonical SMILES for 5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one is CCN(CC)CC/N=C(\C)CC(=O)C(C)(C)C.
What is the InChIKey of 5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one?
The InChIKey is OMPMLFBRLBCHGW-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-16(8-2)10-9-15-12(3)11-13(17)14(4,5)6/h7-11H2,1-6H3/b15-12+.
What are the key properties of 5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one?
5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one has a molecular weight of 240.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethylimino]-2,2-dimethylhexan-3-one is sourced from PubChem (CID 87305222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).