2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one

C16H30N2O — CID 83264245

IUPAC2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)CC(C)N1C(=O)C2(CCCC2)NC1CC
InChIInChI=1S/C16H30N2O/c1-5-12(3)11-13(4)18-14(6-2)17-16(15(18)19)9-7-8-10-16/h12-14,17H,5-11H2,1-4H3
InChIKeyABFPXVBVFVYEJQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.29
Rot. Bonds5

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

2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83264245) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83264245
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)CC(C)N1C(=O)C2(CCCC2)NC1CC
InChIInChI=1S/C16H30N2O/c1-5-12(3)11-13(4)18-14(6-2)17-16(15(18)19)9-7-8-10-16/h12-14,17H,5-11H2,1-4H3
InChIKeyABFPXVBVFVYEJQ-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263262
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83247368
6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263260
5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254085
3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83244515
3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
2-ethyl-3-(2-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253291
3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83258173
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
3-(3-methylbutan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83251608
6-[1-(dimethylamino)-4-methylpentan-2-yl]-5-ethyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247410

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83264245) is 2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one is CCC(C)CC(C)N1C(=O)C2(CCCC2)NC1CC.
What is the InChIKey of 2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is ABFPXVBVFVYEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-12(3)11-13(4)18-14(6-2)17-16(15(18)19)9-7-8-10-16/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 266.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83264245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).