2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

C13H24N2O2 — CID 135165448

IUPAC2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(C)CN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O2/c1-10(2)6-14(3)9-13(16)15-7-11-4-5-12(8-15)17-11/h10-12H,4-9H2,1-3H3
InChIKeyVKTWTVSOZCMFSL-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.96
Rot. Bonds4

About 2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 135165448) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID135165448
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(C)CN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O2/c1-10(2)6-14(3)9-13(16)15-7-11-4-5-12(8-15)17-11/h10-12H,4-9H2,1-3H3
InChIKeyVKTWTVSOZCMFSL-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 135165448) is 2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is CC(C)CN(C)CC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is VKTWTVSOZCMFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)6-14(3)9-13(16)15-7-11-4-5-12(8-15)17-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 135165448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).