6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

C12H22N2O — CID 83242401

IUPAC6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1CC(C)C
InChIInChI=1S/C12H22N2O/c1-4-5-10-13-12(6-7-12)11(15)14(10)8-9(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyMPWWNIJQWAVUFB-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.73
Rot. Bonds4

About 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83242401) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83242401
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1CC(C)C
InChIInChI=1S/C12H22N2O/c1-4-5-10-13-12(6-7-12)11(15)14(10)8-9(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyMPWWNIJQWAVUFB-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83258164
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
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
6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819310
6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264366
3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83258173
5-propyl-6-(5,5,5-trifluoropentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260127
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 106053072
3-(3-methylbutan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83251608
5-propyl-6-(thiolan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270353
5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83242401) is 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCC1NC2(CC2)C(=O)N1CC(C)C.
What is the InChIKey of 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is MPWWNIJQWAVUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-10-13-12(6-7-12)11(15)14(10)8-9(2)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 210.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83242401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).