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

C14H28N2O2 — CID 86615837

IUPAC5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one
SMILESC/C(CC(=O)C(C)(C)C)=N\CCOCCN(C)C
InChIInChI=1S/C14H28N2O2/c1-12(11-13(17)14(2,3)4)15-7-9-18-10-8-16(5)6/h7-11H2,1-6H3/b15-12+
InChIKeyVHHFBKSDEKJPCZ-NTCAYCPXSA-N
MW256.39 g/mol
LogP2.03
Rot. Bonds8

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

5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one (PubChem CID 86615837) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one
PubChem CID86615837
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one
SMILESC/C(CC(=O)C(C)(C)C)=N\CCOCCN(C)C
InChIInChI=1S/C14H28N2O2/c1-12(11-13(17)14(2,3)4)15-7-9-18-10-8-16(5)6/h7-11H2,1-6H3/b15-12+
InChIKeyVHHFBKSDEKJPCZ-NTCAYCPXSA-N
XLogP2.03
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one?
The IUPAC name of 5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one (CID 86615837) is 5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one.
What is the SMILES notation for 5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one?
The canonical SMILES for 5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one is C/C(CC(=O)C(C)(C)C)=N\CCOCCN(C)C.
What is the InChIKey of 5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one?
The InChIKey is VHHFBKSDEKJPCZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(11-13(17)14(2,3)4)15-7-9-18-10-8-16(5)6/h7-11H2,1-6H3/b15-12+.
What are the key properties of 5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one?
5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one has a molecular weight of 256.39 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(dimethylamino)ethoxy]ethylimino]-2,2-dimethylhexan-3-one is sourced from PubChem (CID 86615837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).