6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

C14H26N2O — CID 83258164

IUPAC6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1CCCC(C)C
InChIInChI=1S/C14H26N2O/c1-4-6-12-15-14(8-9-14)13(17)16(12)10-5-7-11(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyYOQBZGQHCUOUOF-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.51
Rot. Bonds6

About 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83258164) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83258164
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1CCCC(C)C
InChIInChI=1S/C14H26N2O/c1-4-6-12-15-14(8-9-14)13(17)16(12)10-5-7-11(2)3/h11-12,15H,4-10H2,1-3H3
InChIKeyYOQBZGQHCUOUOF-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242401
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
5-ethyl-5-methyl-3-(4-methylpentyl)-2-propylimidazolidin-4-one
CID 83255455
5-propyl-6-(5,5,5-trifluoropentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260127
5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 106053072
5-propyl-6-(3,3,3-trifluoropropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254359
6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255546
3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246938
6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264366
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254085

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83258164) is 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCC1NC2(CC2)C(=O)N1CCCC(C)C.
What is the InChIKey of 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is YOQBZGQHCUOUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-12-15-14(8-9-14)13(17)16(12)10-5-7-11(2)3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 238.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83258164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).