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

C15H28N2O — CID 83254085

IUPAC5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1C(C)CCCC(C)C
InChIInChI=1S/C15H28N2O/c1-5-13-16-15(9-10-15)14(18)17(13)12(4)8-6-7-11(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyONAZQGPLYAERTE-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.90
Rot. Bonds6

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

5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83254085) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83254085
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1C(C)CCCC(C)C
InChIInChI=1S/C15H28N2O/c1-5-13-16-15(9-10-15)14(18)17(13)12(4)8-6-7-11(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyONAZQGPLYAERTE-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-6-(6-methylheptan-2-yl)-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-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83252507
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
6-[1-(dimethylamino)-4-methylpentan-2-yl]-5-ethyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247410
2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264245
6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83259165
6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83258164
5-ethyl-6-(1-methoxy-3-methylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258737
2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83247368
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
2-ethyl-3-(6-methylheptan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252990
6-(2-methylpentan-3-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247398

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83254085) is 5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is CCC1NC2(CC2)C(=O)N1C(C)CCCC(C)C.
What is the InChIKey of 5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is ONAZQGPLYAERTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-13-16-15(9-10-15)14(18)17(13)12(4)8-6-7-11(2)3/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 252.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83254085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).