6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

C16H28N2O — CID 83270898

IUPAC6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1C1CCCCC1(C)C
InChIInChI=1S/C16H28N2O/c1-4-7-13-17-16(10-11-16)14(19)18(13)12-8-5-6-9-15(12,2)3/h12-13,17H,4-11H2,1-3H3
InChIKeyQZZXDSKIHRLCIP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.05
Rot. Bonds3

About 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83270898) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83270898
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1C1CCCCC1(C)C
InChIInChI=1S/C16H28N2O/c1-4-7-13-17-16(10-11-16)14(19)18(13)12-8-5-6-9-15(12,2)3/h12-13,17H,4-11H2,1-3H3
InChIKeyQZZXDSKIHRLCIP-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

Analyze 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,2-dimethylcyclopentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270591
3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83271222
3-(2,2-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83258710
6-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270342
6-(2,2-dimethylcyclopentyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270264
3-(3,3-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83268080
5-butyl-3-(2,2-dimethylcyclohexyl)-2-propylimidazolidin-4-one
CID 83269555
6-(2-methylcyclopropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255505
6-(2-methoxycyclopentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251733
3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264624
3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83249922
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83270898) is 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCC1NC2(CC2)C(=O)N1C1CCCCC1(C)C.
What is the InChIKey of 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is QZZXDSKIHRLCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-7-13-17-16(10-11-16)14(19)18(13)12-8-5-6-9-15(12,2)3/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-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 6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83270898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).