1,3-diethyl-1,3-diazonan-2-one

C11H22N2O — CID 67709715

IUPAC1,3-diethyl-1,3-diazonan-2-one
SMILESCCN1CCCCCCN(CC)C1=O
InChIInChI=1S/C11H22N2O/c1-3-12-9-7-5-6-8-10-13(4-2)11(12)14/h3-10H2,1-2H3
InChIKeyKOZFYIYCEGHCMN-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.32
Rot. Bonds2

About 1,3-diethyl-1,3-diazonan-2-one

1,3-diethyl-1,3-diazonan-2-one (PubChem CID 67709715) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,3-diethyl-1,3-diazonan-2-one.

Molecular Properties

Compound Name1,3-diethyl-1,3-diazonan-2-one
PubChem CID67709715
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1,3-diethyl-1,3-diazonan-2-one
SMILESCCN1CCCCCCN(CC)C1=O
InChIInChI=1S/C11H22N2O/c1-3-12-9-7-5-6-8-10-13(4-2)11(12)14/h3-10H2,1-2H3
InChIKeyKOZFYIYCEGHCMN-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,3-diazonan-2-one?
The IUPAC name of 1,3-diethyl-1,3-diazonan-2-one (CID 67709715) is 1,3-diethyl-1,3-diazonan-2-one.
What is the SMILES notation for 1,3-diethyl-1,3-diazonan-2-one?
The canonical SMILES for 1,3-diethyl-1,3-diazonan-2-one is CCN1CCCCCCN(CC)C1=O.
What is the InChIKey of 1,3-diethyl-1,3-diazonan-2-one?
The InChIKey is KOZFYIYCEGHCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-12-9-7-5-6-8-10-13(4-2)11(12)14/h3-10H2,1-2H3.
What are the key properties of 1,3-diethyl-1,3-diazonan-2-one?
1,3-diethyl-1,3-diazonan-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1,3-diazonan-2-one is sourced from PubChem (CID 67709715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).