2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one

C15H28N2O — CID 97392980

IUPAC2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCC(C)CN1CCC2(CC1)CN(C(=O)C(C)C)C2
InChIInChI=1S/C15H28N2O/c1-12(2)9-16-7-5-15(6-8-16)10-17(11-15)14(18)13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyAHRZIIJAOMMZIH-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.22
Rot. Bonds3

About 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one

2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one (PubChem CID 97392980) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
PubChem CID97392980
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCC(C)CN1CCC2(CC1)CN(C(=O)C(C)C)C2
InChIInChI=1S/C15H28N2O/c1-12(2)9-16-7-5-15(6-8-16)10-17(11-15)14(18)13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyAHRZIIJAOMMZIH-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one (CID 97392980) is 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one is CC(C)CN1CCC2(CC1)CN(C(=O)C(C)C)C2.
What is the InChIKey of 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The InChIKey is AHRZIIJAOMMZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)9-16-7-5-15(6-8-16)10-17(11-15)14(18)13(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one is sourced from PubChem (CID 97392980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).