3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

C17H33N3O — CID 106053072

IUPAC3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1CCCN(C)C(C)C
InChIInChI=1S/C17H33N3O/c1-5-9-15-18-17(10-6-7-11-17)16(21)20(15)13-8-12-19(4)14(2)3/h14-15,18H,5-13H2,1-4H3
InChIKeyVGEIGWUWSPWYGF-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.59
Rot. Bonds7

About 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 106053072) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID106053072
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1CCCN(C)C(C)C
InChIInChI=1S/C17H33N3O/c1-5-9-15-18-17(10-6-7-11-17)16(21)20(15)13-8-12-19(4)14(2)3/h14-15,18H,5-13H2,1-4H3
InChIKeyVGEIGWUWSPWYGF-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (CID 106053072) is 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is CCCC1NC2(CCCC2)C(=O)N1CCCN(C)C(C)C.
What is the InChIKey of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is VGEIGWUWSPWYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-9-15-18-17(10-6-7-11-17)16(21)20(15)13-8-12-19(4)14(2)3/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 295.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 106053072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).