3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one

C14H27N3O — CID 83238067

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCN(C)CC(C)(C)CN1CNC2(CCCC2)C1=O
InChIInChI=1S/C14H27N3O/c1-13(2,9-16(3)4)10-17-11-15-14(12(17)18)7-5-6-8-14/h15H,5-11H2,1-4H3
InChIKeyCWEWCLCWFZGELE-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.28
Rot. Bonds4

About 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one

3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83238067) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83238067
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCN(C)CC(C)(C)CN1CNC2(CCCC2)C1=O
InChIInChI=1S/C14H27N3O/c1-13(2,9-16(3)4)10-17-11-15-14(12(17)18)7-5-6-8-14/h15H,5-11H2,1-4H3
InChIKeyCWEWCLCWFZGELE-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one (CID 83238067) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one is CN(C)CC(C)(C)CN1CNC2(CCCC2)C1=O.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is CWEWCLCWFZGELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2,9-16(3)4)10-17-11-15-14(12(17)18)7-5-6-8-14/h15H,5-11H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 253.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83238067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).