3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one

C13H24N2O2 — CID 171937787

IUPAC3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
SMILESCN(C)CCC(=O)C1CC2COCC(C1)N2C
InChIInChI=1S/C13H24N2O2/c1-14(2)5-4-13(16)10-6-11-8-17-9-12(7-10)15(11)3/h10-12H,4-9H2,1-3H3
InChIKeyHSCRHYDWUXRASO-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.62
Rot. Bonds4

About 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one

3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one (PubChem CID 171937787) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
PubChem CID171937787
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
SMILESCN(C)CCC(=O)C1CC2COCC(C1)N2C
InChIInChI=1S/C13H24N2O2/c1-14(2)5-4-13(16)10-6-11-8-17-9-12(7-10)15(11)3/h10-12H,4-9H2,1-3H3
InChIKeyHSCRHYDWUXRASO-UHFFFAOYSA-N
XLogP0.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one (CID 171937787) is 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one is CN(C)CCC(=O)C1CC2COCC(C1)N2C.
What is the InChIKey of 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The InChIKey is HSCRHYDWUXRASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14(2)5-4-13(16)10-6-11-8-17-9-12(7-10)15(11)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one is sourced from PubChem (CID 171937787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).