1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one

C13H24N2O — CID 172604347

IUPAC1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one
SMILESCC(=O)CN1CCC2(CCN(C)CC2)CC1
InChIInChI=1S/C13H24N2O/c1-12(16)11-15-9-5-13(6-10-15)3-7-14(2)8-4-13/h3-11H2,1-2H3
InChIKeyJQKPDZTUMIIEIK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds2

About 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one

1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one (PubChem CID 172604347) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one
PubChem CID172604347
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one
SMILESCC(=O)CN1CCC2(CCN(C)CC2)CC1
InChIInChI=1S/C13H24N2O/c1-12(16)11-15-9-5-13(6-10-15)3-7-14(2)8-4-13/h3-11H2,1-2H3
InChIKeyJQKPDZTUMIIEIK-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one?
The IUPAC name of 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one (CID 172604347) is 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one.
What is the SMILES notation for 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one?
The canonical SMILES for 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one is CC(=O)CN1CCC2(CCN(C)CC2)CC1.
What is the InChIKey of 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one?
The InChIKey is JQKPDZTUMIIEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(16)11-15-9-5-13(6-10-15)3-7-14(2)8-4-13/h3-11H2,1-2H3.
What are the key properties of 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one?
1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one is sourced from PubChem (CID 172604347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).