(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane

C8H15NO — CID 164921904

IUPAC(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCOC[C@@H]1[C@H]2CC2CN1C
InChIInChI=1S/C8H15NO/c1-9-4-6-3-7(6)8(9)5-10-2/h6-8H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyFVNZMEYVWAOFAB-ZHFSPANRSA-N
MW141.21 g/mol
LogP0.58
Rot. Bonds2

About (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane

(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 164921904) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID164921904
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCOC[C@@H]1[C@H]2CC2CN1C
InChIInChI=1S/C8H15NO/c1-9-4-6-3-7(6)8(9)5-10-2/h6-8H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyFVNZMEYVWAOFAB-ZHFSPANRSA-N
XLogP0.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5S)-2-(1-methoxyethenyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 167254812
(1S,2R,5R)-2,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 59917347
3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane
CID 168881501
(2R)-4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 67681529
ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 144977158
(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 68574217
5-(methoxymethyl)-N,1-dimethylpyrrolidin-3-amine
CID 20705157
(1R,5S)-2-ethyl-3-iodo-3-azabicyclo[3.1.0]hexane
CID 166840052
(3-iodo-3-azabicyclo[3.1.0]hexan-2-yl)methanol
CID 130255729
4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134400428
(3aS,4R,6aR)-4-(methoxymethyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134400253
(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126658236

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane (CID 164921904) is (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane is COC[C@@H]1[C@H]2CC2CN1C.
What is the InChIKey of (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is FVNZMEYVWAOFAB-ZHFSPANRSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-4-6-3-7(6)8(9)5-10-2/h6-8H,3-5H2,1-2H3/t6?,7-,8+/m0/s1.
What are the key properties of (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 141.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 164921904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).