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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Related Compounds

3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972368
1-(3-cyclobutylpropyl)imidazolidin-2-one
CID 54012636
1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one
CID 115371177
2-cyclopentyl-5-methyl-3-[2-(3-methylcyclohexyl)ethyl]imidazolidin-4-one
CID 83264110
1-(2-methylsulfanylethyl)-1,3-diazinan-2-one
CID 115371185
2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 91646466
1-ethyl-1,3-diazinan-2-one
CID 21479220
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64972282
3-tert-butyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine
CID 64952439
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one
CID 115371207
2-methyl-3-[2-(3-methylcyclohexyl)ethyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83264269
(2S)-1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]pyrrolidine-2-carboxylic acid
CID 124693676

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).