1-(4-propylcyclohexyl)-1,3-diazinan-2-one

C13H24N2O — CID 115371043

IUPAC1-(4-propylcyclohexyl)-1,3-diazinan-2-one
SMILESCCCC1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-2-4-11-5-7-12(8-6-11)15-10-3-9-14-13(15)16/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyAVBOEUJANQISES-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.76
Rot. Bonds3

About 1-(4-propylcyclohexyl)-1,3-diazinan-2-one

1-(4-propylcyclohexyl)-1,3-diazinan-2-one (PubChem CID 115371043) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)-1,3-diazinan-2-one
PubChem CID115371043
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(4-propylcyclohexyl)-1,3-diazinan-2-one
SMILESCCCC1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C13H24N2O/c1-2-4-11-5-7-12(8-6-11)15-10-3-9-14-13(15)16/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyAVBOEUJANQISES-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-propylcyclohexyl)-1,3-diazinan-2-one (CID 115371043) is 1-(4-propylcyclohexyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-propylcyclohexyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-propylcyclohexyl)-1,3-diazinan-2-one is CCCC1CCC(N2CCCNC2=O)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)-1,3-diazinan-2-one?
The InChIKey is AVBOEUJANQISES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-4-11-5-7-12(8-6-11)15-10-3-9-14-13(15)16/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of 1-(4-propylcyclohexyl)-1,3-diazinan-2-one?
1-(4-propylcyclohexyl)-1,3-diazinan-2-one has a molecular weight of 224.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115371043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).