(1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane

C11H21NO — CID 126510553

IUPAC(1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane
SMILESCCC(C)(C)N1C[C@@H]2OC[C@]2(C)C1
InChIInChI=1S/C11H21NO/c1-5-10(2,3)12-6-9-11(4,7-12)8-13-9/h9H,5-8H2,1-4H3/t9-,11-/m0/s1
InChIKeyLLQVBROAUBNGOC-ONGXEEELSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds2

About (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane

(1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane (PubChem CID 126510553) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane
PubChem CID126510553
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane
SMILESCCC(C)(C)N1C[C@@H]2OC[C@]2(C)C1
InChIInChI=1S/C11H21NO/c1-5-10(2,3)12-6-9-11(4,7-12)8-13-9/h9H,5-8H2,1-4H3/t9-,11-/m0/s1
InChIKeyLLQVBROAUBNGOC-ONGXEEELSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane with MolForge

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Related Compounds

[3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 155370626
1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
1,3-bis(2-methylbutan-2-yl)azetidine
CID 176964462
6-(2-methylbutan-2-yl)-6-azaspiro[3.4]octan-3-amine
CID 155370700
3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine
CID 64925996
(1R)-1-ethyl-1,5,5-trimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
CID 162288863
3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine
CID 167292307
3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
CID 155259857
(3aS,6aR)-5-tert-butyl-2-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 167645455
6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine
CID 155187142
(2R)-4-ethyl-2-(3-methyloxetan-3-yl)morpholine
CID 177187309

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane?
The IUPAC name of (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane (CID 126510553) is (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane is CCC(C)(C)N1C[C@@H]2OC[C@]2(C)C1.
What is the InChIKey of (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane?
The InChIKey is LLQVBROAUBNGOC-ONGXEEELSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-10(2,3)12-6-9-11(4,7-12)8-13-9/h9H,5-8H2,1-4H3/t9-,11-/m0/s1.
What are the key properties of (1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane?
(1S,5R)-1-methyl-3-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane has a molecular weight of 183.29 g/mol, XLogP of 1.90, 2 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-(2-methylbutan-2-yl)-6-oxa-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 126510553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).