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

C7H14N2O — CID 118893840

IUPAC(1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN1C[C@@H]2CO[C@H](C1)[C@@H]2N
InChIInChI=1S/C7H14N2O/c1-9-2-5-4-10-6(3-9)7(5)8/h5-7H,2-4,8H2,1H3/t5-,6-,7-/m1/s1
InChIKeyZIQSSAUMEXRPQJ-FSDSQADBSA-N
MW142.20 g/mol
LogP-0.73
Rot. Bonds

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

(1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 118893840) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID118893840
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN1C[C@@H]2CO[C@H](C1)[C@@H]2N
InChIInChI=1S/C7H14N2O/c1-9-2-5-4-10-6(3-9)7(5)8/h5-7H,2-4,8H2,1H3/t5-,6-,7-/m1/s1
InChIKeyZIQSSAUMEXRPQJ-FSDSQADBSA-N
XLogP-0.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine (CID 118893840) is (1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine is CN1C[C@@H]2CO[C@H](C1)[C@@H]2N.
What is the InChIKey of (1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is ZIQSSAUMEXRPQJ-FSDSQADBSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-2-5-4-10-6(3-9)7(5)8/h5-7H,2-4,8H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine?
(1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 142.20 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 118893840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).