1-(2-cyclohexylethyl)-1,3-diazinan-2-one

C12H22N2O — CID 54313695

IUPAC1-(2-cyclohexylethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCC1CCCCC1
InChIInChI=1S/C12H22N2O/c15-12-13-8-4-9-14(12)10-7-11-5-2-1-3-6-11/h11H,1-10H2,(H,13,15)
InChIKeyMEDGCXCNIPLKKW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.37
Rot. Bonds3

About 1-(2-cyclohexylethyl)-1,3-diazinan-2-one

1-(2-cyclohexylethyl)-1,3-diazinan-2-one (PubChem CID 54313695) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-1,3-diazinan-2-one
PubChem CID54313695
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(2-cyclohexylethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCC1CCCCC1
InChIInChI=1S/C12H22N2O/c15-12-13-8-4-9-14(12)10-7-11-5-2-1-3-6-11/h11H,1-10H2,(H,13,15)
InChIKeyMEDGCXCNIPLKKW-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-1,3-diazinan-2-one (CID 54313695) is 1-(2-cyclohexylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-1,3-diazinan-2-one is O=C1NCCCN1CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-1,3-diazinan-2-one?
The InChIKey is MEDGCXCNIPLKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12-13-8-4-9-14(12)10-7-11-5-2-1-3-6-11/h11H,1-10H2,(H,13,15).
What are the key properties of 1-(2-cyclohexylethyl)-1,3-diazinan-2-one?
1-(2-cyclohexylethyl)-1,3-diazinan-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 54313695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).