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

C15H28N2O — CID 83263260

IUPAC6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)CC(C)N1C(=O)C2(CC2)NC1C(C)C
InChIInChI=1S/C15H28N2O/c1-6-11(4)9-12(5)17-13(10(2)3)16-15(7-8-15)14(17)18/h10-13,16H,6-9H2,1-5H3
InChIKeyCZGRJBLCQWYAFD-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.76
Rot. Bonds5

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

6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83263260) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83263260
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)CC(C)N1C(=O)C2(CC2)NC1C(C)C
InChIInChI=1S/C15H28N2O/c1-6-11(4)9-12(5)17-13(10(2)3)16-15(7-8-15)14(17)18/h10-13,16H,6-9H2,1-5H3
InChIKeyCZGRJBLCQWYAFD-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83244515
2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264245
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263262
6-(dicyclopropylmethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83252344
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243550
6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256700
5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254085
6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244558
3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83255752
6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83265028
6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256857

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83263260) is 6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CCC(C)CC(C)N1C(=O)C2(CC2)NC1C(C)C.
What is the InChIKey of 6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is CZGRJBLCQWYAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-11(4)9-12(5)17-13(10(2)3)16-15(7-8-15)14(17)18/h10-13,16H,6-9H2,1-5H3.
What are the key properties of 6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 252.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83263260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).