3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one

C16H28N2O — CID 83256361

IUPAC3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1NC2(CCCC2)C(=O)N1CCC1CCCCC1
InChIInChI=1S/C16H28N2O/c1-13-17-16(10-5-6-11-16)15(19)18(13)12-9-14-7-3-2-4-8-14/h13-14,17H,2-12H2,1H3
InChIKeyLMOHDXKZAKHVJZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.05
Rot. Bonds3

About 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one

3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83256361) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83256361
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1NC2(CCCC2)C(=O)N1CCC1CCCCC1
InChIInChI=1S/C16H28N2O/c1-13-17-16(10-5-6-11-16)15(19)18(13)12-9-14-7-3-2-4-8-14/h13-14,17H,2-12H2,1H3
InChIKeyLMOHDXKZAKHVJZ-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83256361) is 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one is CC1NC2(CCCC2)C(=O)N1CCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is LMOHDXKZAKHVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-17-16(10-5-6-11-16)15(19)18(13)12-9-14-7-3-2-4-8-14/h13-14,17H,2-12H2,1H3.
What are the key properties of 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 264.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83256361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).