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

C16H28N2O — CID 83264077

IUPAC6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCC(N2C(=O)C3(CC3)NC2C(C)C)C(C)C1
InChIInChI=1S/C16H28N2O/c1-10(2)14-17-16(7-8-16)15(19)18(14)13-6-5-11(3)9-12(13)4/h10-14,17H,5-9H2,1-4H3
InChIKeyLMQKPBCMYNGUFA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.76
Rot. Bonds2

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

6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83264077) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83264077
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCC(N2C(=O)C3(CC3)NC2C(C)C)C(C)C1
InChIInChI=1S/C16H28N2O/c1-10(2)14-17-16(7-8-16)15(19)18(14)13-6-5-11(3)9-12(13)4/h10-14,17H,5-9H2,1-4H3
InChIKeyLMQKPBCMYNGUFA-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83264077) is 6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC1CCC(N2C(=O)C3(CC3)NC2C(C)C)C(C)C1.
What is the InChIKey of 6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is LMQKPBCMYNGUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10(2)14-17-16(7-8-16)15(19)18(14)13-6-5-11(3)9-12(13)4/h10-14,17H,5-9H2,1-4H3.
What are the key properties of 6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 264.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83264077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).