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

C14H26N2O2 — CID 142388493

IUPAC2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCC(C)CN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O2/c1-4-11(2)7-15(3)10-14(17)16-8-12-5-6-13(9-16)18-12/h11-13H,4-10H2,1-3H3
InChIKeyHHLYORBNUXXBEB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds5

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

2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 142388493) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID142388493
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCC(C)CN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O2/c1-4-11(2)7-15(3)10-14(17)16-8-12-5-6-13(9-16)18-12/h11-13H,4-10H2,1-3H3
InChIKeyHHLYORBNUXXBEB-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 142388493) is 2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is CCC(C)CN(C)CC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is HHLYORBNUXXBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-11(2)7-15(3)10-14(17)16-8-12-5-6-13(9-16)18-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 142388493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).