[(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine

C8H16N2O — CID 135182226

IUPAC[(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine
SMILESCN1C[C@@H]2CO[C@H](C1)[C@H]2CN
InChIInChI=1S/C8H16N2O/c1-10-3-6-5-11-8(4-10)7(6)2-9/h6-8H,2-5,9H2,1H3/t6-,7+,8-/m1/s1
InChIKeyYPESTRSQHAUAHX-GJMOJQLCSA-N
MW156.23 g/mol
LogP-0.48
Rot. Bonds1

About [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine

[(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine (PubChem CID 135182226) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine.

Molecular Properties

Compound Name[(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine
PubChem CID135182226
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name[(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine
SMILESCN1C[C@@H]2CO[C@H](C1)[C@H]2CN
InChIInChI=1S/C8H16N2O/c1-10-3-6-5-11-8(4-10)7(6)2-9/h6-8H,2-5,9H2,1H3/t6-,7+,8-/m1/s1
InChIKeyYPESTRSQHAUAHX-GJMOJQLCSA-N
XLogP-0.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine?
The IUPAC name of [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine (CID 135182226) is [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine.
What is the SMILES notation for [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine?
The canonical SMILES for [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine is CN1C[C@@H]2CO[C@H](C1)[C@H]2CN.
What is the InChIKey of [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine?
The InChIKey is YPESTRSQHAUAHX-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-3-6-5-11-8(4-10)7(6)2-9/h6-8H,2-5,9H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine?
[(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine has a molecular weight of 156.23 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine is sourced from PubChem (CID 135182226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).