(1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane

C8H15NO — CID 12063323

IUPAC(1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCO[C@H]1C[C@H]2C[C@@H]1N(C)C2
InChIInChI=1S/C8H15NO/c1-9-5-6-3-7(9)8(4-6)10-2/h6-8H,3-5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKeyPOHWNWNQHKDWJN-CSMHCCOUSA-N
MW141.21 g/mol
LogP0.73
Rot. Bonds1

About (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane

(1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 12063323) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID12063323
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCO[C@H]1C[C@H]2C[C@@H]1N(C)C2
InChIInChI=1S/C8H15NO/c1-9-5-6-3-7(9)8(4-6)10-2/h6-8H,3-5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKeyPOHWNWNQHKDWJN-CSMHCCOUSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane (CID 12063323) is (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane is CO[C@H]1C[C@H]2C[C@@H]1N(C)C2.
What is the InChIKey of (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is POHWNWNQHKDWJN-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-6-3-7(9)8(4-6)10-2/h6-8H,3-5H2,1-2H3/t6-,7+,8+/m1/s1.
What are the key properties of (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane?
(1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S)-6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 12063323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).