1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one

C13H24N2O — CID 115371199

IUPAC1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one
SMILESCC1CCCC(CCN2CCCNC2=O)C1
InChIInChI=1S/C13H24N2O/c1-11-4-2-5-12(10-11)6-9-15-8-3-7-14-13(15)16/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyWVNMDUNIMBOSOX-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.62
Rot. Bonds3

About 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one

1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one (PubChem CID 115371199) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one
PubChem CID115371199
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one
SMILESCC1CCCC(CCN2CCCNC2=O)C1
InChIInChI=1S/C13H24N2O/c1-11-4-2-5-12(10-11)6-9-15-8-3-7-14-13(15)16/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyWVNMDUNIMBOSOX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one (CID 115371199) is 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one is CC1CCCC(CCN2CCCNC2=O)C1.
What is the InChIKey of 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one?
The InChIKey is WVNMDUNIMBOSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-4-2-5-12(10-11)6-9-15-8-3-7-14-13(15)16/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one?
1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one has a molecular weight of 224.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 115371199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).