2-butyldiazinan-3-one

C8H16N2O — CID 105430564

IUPAC2-butyldiazinan-3-one
SMILESCCCCN1NCCCC1=O
InChIInChI=1S/C8H16N2O/c1-2-3-7-10-8(11)5-4-6-9-10/h9H,2-7H2,1H3
InChIKeyYMMIKTKKXYYSFY-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.91
Rot. Bonds3

About 2-butyldiazinan-3-one

2-butyldiazinan-3-one (PubChem CID 105430564) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-butyldiazinan-3-one.

Molecular Properties

Compound Name2-butyldiazinan-3-one
PubChem CID105430564
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-butyldiazinan-3-one
SMILESCCCCN1NCCCC1=O
InChIInChI=1S/C8H16N2O/c1-2-3-7-10-8(11)5-4-6-9-10/h9H,2-7H2,1H3
InChIKeyYMMIKTKKXYYSFY-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyldiazinan-3-one?
The IUPAC name of 2-butyldiazinan-3-one (CID 105430564) is 2-butyldiazinan-3-one.
What is the SMILES notation for 2-butyldiazinan-3-one?
The canonical SMILES for 2-butyldiazinan-3-one is CCCCN1NCCCC1=O.
What is the InChIKey of 2-butyldiazinan-3-one?
The InChIKey is YMMIKTKKXYYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-7-10-8(11)5-4-6-9-10/h9H,2-7H2,1H3.
What are the key properties of 2-butyldiazinan-3-one?
2-butyldiazinan-3-one has a molecular weight of 156.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyldiazinan-3-one is sourced from PubChem (CID 105430564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).