2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one

C13H24N2O2 — CID 169044900

IUPAC2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one
SMILESCC(C)C(=O)N1C2COCC1CN(C(C)C)C2
InChIInChI=1S/C13H24N2O2/c1-9(2)13(16)15-11-5-14(10(3)4)6-12(15)8-17-7-11/h9-12H,5-8H2,1-4H3
InChIKeyRQVVHUDGYOKBDQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.96
Rot. Bonds2

About 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one

2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one (PubChem CID 169044900) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one
PubChem CID169044900
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one
SMILESCC(C)C(=O)N1C2COCC1CN(C(C)C)C2
InChIInChI=1S/C13H24N2O2/c1-9(2)13(16)15-11-5-14(10(3)4)6-12(15)8-17-7-11/h9-12H,5-8H2,1-4H3
InChIKeyRQVVHUDGYOKBDQ-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one (CID 169044900) is 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one is CC(C)C(=O)N1C2COCC1CN(C(C)C)C2.
What is the InChIKey of 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one?
The InChIKey is RQVVHUDGYOKBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)13(16)15-11-5-14(10(3)4)6-12(15)8-17-7-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one?
2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)propan-1-one is sourced from PubChem (CID 169044900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).