(1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane

C12H23NO — CID 177010036

IUPAC(1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)O[C@@H](C)C1C2C[C@@]2(C)CN1C
InChIInChI=1S/C12H23NO/c1-8(2)14-9(3)11-10-6-12(10,4)7-13(11)5/h8-11H,6-7H2,1-5H3/t9-,10?,11?,12-/m0/s1
InChIKeyXIXNCNYNCUABTG-XKGSQUFQSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds3

About (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane

(1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 177010036) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane
PubChem CID177010036
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)O[C@@H](C)C1C2C[C@@]2(C)CN1C
InChIInChI=1S/C12H23NO/c1-8(2)14-9(3)11-10-6-12(10,4)7-13(11)5/h8-11H,6-7H2,1-5H3/t9-,10?,11?,12-/m0/s1
InChIKeyXIXNCNYNCUABTG-XKGSQUFQSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine
CID 175612145
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CID 177091664
(2R,3S)-3-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 168850357
(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009553
1-(1-cyclopropylethoxy)ethylcyclopropane
CID 23618436
3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane
CID 126615138
(6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine
CID 176863413
(2S)-1,2-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 168995415
4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 171415811
3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 176664400
(2S)-4-fluoro-1-methyl-4-octyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine
CID 176610732
(2S,3Z)-3-(fluoromethylidene)-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177009465

Frequently Asked Questions

What is the IUPAC name of (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane (CID 177010036) is (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane is CC(C)O[C@@H](C)C1C2C[C@@]2(C)CN1C.
What is the InChIKey of (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is XIXNCNYNCUABTG-XKGSQUFQSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)14-9(3)11-10-6-12(10,4)7-13(11)5/h8-11H,6-7H2,1-5H3/t9-,10?,11?,12-/m0/s1.
What are the key properties of (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane?
(1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 197.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 177010036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).