5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane

C9H17NO — CID 171817491

IUPAC5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane
SMILESCOCC12CC(C)N(C)C1C2
InChIInChI=1S/C9H17NO/c1-7-4-9(6-11-3)5-8(9)10(7)2/h7-8H,4-6H2,1-3H3
InChIKeyUCQVLLFEOOKUSW-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds2

About 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane

5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane (PubChem CID 171817491) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane
PubChem CID171817491
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane
SMILESCOCC12CC(C)N(C)C1C2
InChIInChI=1S/C9H17NO/c1-7-4-9(6-11-3)5-8(9)10(7)2/h7-8H,4-6H2,1-3H3
InChIKeyUCQVLLFEOOKUSW-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
CID 176632015
4-(methoxymethyl)-1,2,6-trimethylpiperidin-4-amine
CID 83907030
2-[(2,3-dimethyl-2-azabicyclo[3.1.0]hexan-5-yl)methyl]-2-azaspiro[3.3]heptane;ethane
CID 168939147
1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane
CID 169175858
3-(methoxymethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953073
(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
CID 168881491
(3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
CID 168881567
1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
CID 141214985
3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 146049054
1-[(2R)-1-(methoxymethyl)-2,5-dimethylcyclopentyl]-2-methylpropan-1-one
CID 118577431
4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane
CID 168880748
1-(methoxymethyl)-1,3,3,5-tetramethylcyclohexane
CID 20692115

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane (CID 171817491) is 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane is COCC12CC(C)N(C)C1C2.
What is the InChIKey of 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is UCQVLLFEOOKUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-9(6-11-3)5-8(9)10(7)2/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane?
5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 155.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 171817491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).