6-oxa-3-azabicyclo[3.2.1]octan-8-amine

C6H12N2O — CID 166797050

IUPAC6-oxa-3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1C2CNCC1OC2
InChIInChI=1S/C6H12N2O/c7-6-4-1-8-2-5(6)9-3-4/h4-6,8H,1-3,7H2
InChIKeyNFPVUXIYSXZKNF-UHFFFAOYSA-N
MW128.17 g/mol
LogP-1.07
Rot. Bonds

About 6-oxa-3-azabicyclo[3.2.1]octan-8-amine

6-oxa-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 166797050) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 6-oxa-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name6-oxa-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID166797050
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name6-oxa-3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1C2CNCC1OC2
InChIInChI=1S/C6H12N2O/c7-6-4-1-8-2-5(6)9-3-4/h4-6,8H,1-3,7H2
InChIKeyNFPVUXIYSXZKNF-UHFFFAOYSA-N
XLogP-1.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 6-oxa-3-azabicyclo[3.2.1]octan-8-amine (CID 166797050) is 6-oxa-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 6-oxa-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 6-oxa-3-azabicyclo[3.2.1]octan-8-amine is NC1C2CNCC1OC2.
What is the InChIKey of 6-oxa-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is NFPVUXIYSXZKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c7-6-4-1-8-2-5(6)9-3-4/h4-6,8H,1-3,7H2.
What are the key properties of 6-oxa-3-azabicyclo[3.2.1]octan-8-amine?
6-oxa-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 128.17 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 166797050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).