1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane

C7H13NO — CID 84647975

IUPAC1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane
SMILESCOCC12CC(CN1)C2
InChIInChI=1S/C7H13NO/c1-9-5-7-2-6(3-7)4-8-7/h6,8H,2-5H2,1H3
InChIKeyZLSZUYBJTWUGCZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.38
Rot. Bonds2

About 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane

1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane (PubChem CID 84647975) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane
PubChem CID84647975
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane
SMILESCOCC12CC(CN1)C2
InChIInChI=1S/C7H13NO/c1-9-5-7-2-6(3-7)4-8-7/h6,8H,2-5H2,1H3
InChIKeyZLSZUYBJTWUGCZ-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane (CID 84647975) is 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane is COCC12CC(CN1)C2.
What is the InChIKey of 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane?
The InChIKey is ZLSZUYBJTWUGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-5-7-2-6(3-7)4-8-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane?
1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane has a molecular weight of 127.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 84647975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).