4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one

C13H24N2O — CID 117023379

IUPAC4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one
SMILESCC1(C)CC(=O)N(C2CCCCC2)CCN1
InChIInChI=1S/C13H24N2O/c1-13(2)10-12(16)15(9-8-14-13)11-6-4-3-5-7-11/h11,14H,3-10H2,1-2H3
InChIKeyJIONASSHUAVREW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds1

About 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one

4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one (PubChem CID 117023379) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one
PubChem CID117023379
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one
SMILESCC1(C)CC(=O)N(C2CCCCC2)CCN1
InChIInChI=1S/C13H24N2O/c1-13(2)10-12(16)15(9-8-14-13)11-6-4-3-5-7-11/h11,14H,3-10H2,1-2H3
InChIKeyJIONASSHUAVREW-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 86812142
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CID 117023395
1-cyclodecylpyrrolidin-2-one
CID 138507623
4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one
CID 117023640
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
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CID 86313694
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
1-cyclohexyl-4-methylpiperazin-2-one
CID 58742110
1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
CID 67112219
1-cyclobutyl-3-methylpiperazin-2-one
CID 115101959
1-cycloheptyl-3,3-dimethyl-1,4-diazepane
CID 64944315

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one?
The IUPAC name of 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one (CID 117023379) is 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one?
The canonical SMILES for 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one is CC1(C)CC(=O)N(C2CCCCC2)CCN1.
What is the InChIKey of 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one?
The InChIKey is JIONASSHUAVREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)10-12(16)15(9-8-14-13)11-6-4-3-5-7-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one?
4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one has a molecular weight of 224.35 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-7,7-dimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 117023379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).