1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one

C11H22N2O2 — CID 105468011

IUPAC1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one
SMILESCCN1CCCC(=O)N1CCC(C)(C)O
InChIInChI=1S/C11H22N2O2/c1-4-12-8-5-6-10(14)13(12)9-7-11(2,3)15/h15H,4-9H2,1-3H3
InChIKeyQMZLRCJYSVRRTC-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.01
Rot. Bonds4

About 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one

1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one (PubChem CID 105468011) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one.

Molecular Properties

Compound Name1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one
PubChem CID105468011
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one
SMILESCCN1CCCC(=O)N1CCC(C)(C)O
InChIInChI=1S/C11H22N2O2/c1-4-12-8-5-6-10(14)13(12)9-7-11(2,3)15/h15H,4-9H2,1-3H3
InChIKeyQMZLRCJYSVRRTC-UHFFFAOYSA-N
XLogP1.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one?
The IUPAC name of 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one (CID 105468011) is 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one.
What is the SMILES notation for 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one?
The canonical SMILES for 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one is CCN1CCCC(=O)N1CCC(C)(C)O.
What is the InChIKey of 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one?
The InChIKey is QMZLRCJYSVRRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-12-8-5-6-10(14)13(12)9-7-11(2,3)15/h15H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one?
1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one has a molecular weight of 214.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-hydroxy-3-methylbutyl)diazinan-3-one is sourced from PubChem (CID 105468011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).