1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione

C11H20N2O2 — CID 69417806

IUPAC1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione
SMILESCCC(C)(C)C(=O)C(=O)N1CCCCN1
InChIInChI=1S/C11H20N2O2/c1-4-11(2,3)9(14)10(15)13-8-6-5-7-12-13/h12H,4-8H2,1-3H3
InChIKeyOLLTZBXYXAOTTR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.12
Rot. Bonds3

About 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione

1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione (PubChem CID 69417806) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione.

Molecular Properties

Compound Name1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione
PubChem CID69417806
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione
SMILESCCC(C)(C)C(=O)C(=O)N1CCCCN1
InChIInChI=1S/C11H20N2O2/c1-4-11(2,3)9(14)10(15)13-8-6-5-7-12-13/h12H,4-8H2,1-3H3
InChIKeyOLLTZBXYXAOTTR-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione?
The IUPAC name of 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione (CID 69417806) is 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione.
What is the SMILES notation for 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione?
The canonical SMILES for 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione is CCC(C)(C)C(=O)C(=O)N1CCCCN1.
What is the InChIKey of 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione?
The InChIKey is OLLTZBXYXAOTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-11(2,3)9(14)10(15)13-8-6-5-7-12-13/h12H,4-8H2,1-3H3.
What are the key properties of 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione?
1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione has a molecular weight of 212.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazinan-1-yl)-3,3-dimethylpentane-1,2-dione is sourced from PubChem (CID 69417806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).