1-amino-2-ethoxy-2,4-dimethylhexan-3-one

C10H21NO2 — CID 166723451

IUPAC1-amino-2-ethoxy-2,4-dimethylhexan-3-one
SMILESCCOC(C)(CN)C(=O)C(C)CC
InChIInChI=1S/C10H21NO2/c1-5-8(3)9(12)10(4,7-11)13-6-2/h8H,5-7,11H2,1-4H3
InChIKeyKLKGQOYSQUMAOZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.36
Rot. Bonds6

About 1-amino-2-ethoxy-2,4-dimethylhexan-3-one

1-amino-2-ethoxy-2,4-dimethylhexan-3-one (PubChem CID 166723451) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-amino-2-ethoxy-2,4-dimethylhexan-3-one.

Molecular Properties

Compound Name1-amino-2-ethoxy-2,4-dimethylhexan-3-one
PubChem CID166723451
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-amino-2-ethoxy-2,4-dimethylhexan-3-one
SMILESCCOC(C)(CN)C(=O)C(C)CC
InChIInChI=1S/C10H21NO2/c1-5-8(3)9(12)10(4,7-11)13-6-2/h8H,5-7,11H2,1-4H3
InChIKeyKLKGQOYSQUMAOZ-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethoxy-2,4-dimethylhexan-3-one?
The IUPAC name of 1-amino-2-ethoxy-2,4-dimethylhexan-3-one (CID 166723451) is 1-amino-2-ethoxy-2,4-dimethylhexan-3-one.
What is the SMILES notation for 1-amino-2-ethoxy-2,4-dimethylhexan-3-one?
The canonical SMILES for 1-amino-2-ethoxy-2,4-dimethylhexan-3-one is CCOC(C)(CN)C(=O)C(C)CC.
What is the InChIKey of 1-amino-2-ethoxy-2,4-dimethylhexan-3-one?
The InChIKey is KLKGQOYSQUMAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-8(3)9(12)10(4,7-11)13-6-2/h8H,5-7,11H2,1-4H3.
What are the key properties of 1-amino-2-ethoxy-2,4-dimethylhexan-3-one?
1-amino-2-ethoxy-2,4-dimethylhexan-3-one has a molecular weight of 187.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethoxy-2,4-dimethylhexan-3-one is sourced from PubChem (CID 166723451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).