2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane

C8H15NO — CID 170431705

IUPAC2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane
SMILESCOCC1CCC2CC1N2
InChIInChI=1S/C8H15NO/c1-10-5-6-2-3-7-4-8(6)9-7/h6-9H,2-5H2,1H3
InChIKeyROQJQEOZYRGBSW-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds2

About 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane

2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane (PubChem CID 170431705) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane
PubChem CID170431705
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane
SMILESCOCC1CCC2CC1N2
InChIInChI=1S/C8H15NO/c1-10-5-6-2-3-7-4-8(6)9-7/h6-9H,2-5H2,1H3
InChIKeyROQJQEOZYRGBSW-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane (CID 170431705) is 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane is COCC1CCC2CC1N2.
What is the InChIKey of 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane?
The InChIKey is ROQJQEOZYRGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-5-6-2-3-7-4-8(6)9-7/h6-9H,2-5H2,1H3.
What are the key properties of 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane?
2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 170431705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).