(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane

C10H19NO — CID 168795726

IUPAC(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CC[C@@](C)(C1)O2
InChIInChI=1S/C10H19NO/c1-8(2)11-6-9-4-5-10(3,7-11)12-9/h8-9H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyOABVSJGLUDSRBV-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds1

About (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane

(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 168795726) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID168795726
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CC[C@@](C)(C1)O2
InChIInChI=1S/C10H19NO/c1-8(2)11-6-9-4-5-10(3,7-11)12-9/h8-9H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyOABVSJGLUDSRBV-ZJUUUORDSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 176594070
ethane;1-methyl-7-oxabicyclo[2.2.1]heptane
CID 142533479
5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine
CID 174171326
3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine
CID 155088145
(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
CID 156546461
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 155392390
3-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 134505389
(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 153498477
3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 135165727
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane (CID 168795726) is (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane is CC(C)N1C[C@H]2CC[C@@](C)(C1)O2.
What is the InChIKey of (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is OABVSJGLUDSRBV-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)11-6-9-4-5-10(3,7-11)12-9/h8-9H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 169.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 168795726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).