3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one

C16H30N2O — CID 83244515

IUPAC3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC(C)N1C(=O)C2(CCCC2)NC1C(C)C
InChIInChI=1S/C16H30N2O/c1-11(2)10-13(5)18-14(12(3)4)17-16(15(18)19)8-6-7-9-16/h11-14,17H,6-10H2,1-5H3
InChIKeyYRROLGAVBOWAQW-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.15
Rot. Bonds4

About 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one

3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83244515) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83244515
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC(C)N1C(=O)C2(CCCC2)NC1C(C)C
InChIInChI=1S/C16H30N2O/c1-11(2)10-13(5)18-14(12(3)4)17-16(15(18)19)8-6-7-9-16/h11-14,17H,6-10H2,1-5H3
InChIKeyYRROLGAVBOWAQW-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263260
3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83255752
2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264245
3-[(1-methylcyclopentyl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83257924
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
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-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
3-[2-[ethyl(methyl)amino]ethyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83254466
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83262988
2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83247368

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one (CID 83244515) is 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one is CC(C)CC(C)N1C(=O)C2(CCCC2)NC1C(C)C.
What is the InChIKey of 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is YRROLGAVBOWAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11(2)10-13(5)18-14(12(3)4)17-16(15(18)19)8-6-7-9-16/h11-14,17H,6-10H2,1-5H3.
What are the key properties of 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 266.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83244515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).