2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine

C6H12N2O — CID 167265005

IUPAC2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine
SMILESNCN1CC2CC1CO2
InChIInChI=1S/C6H12N2O/c7-4-8-2-6-1-5(8)3-9-6/h5-6H,1-4,7H2
InChIKeyMXMHEMZELXZGIP-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.62
Rot. Bonds1

About 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine

2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine (PubChem CID 167265005) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine.

Molecular Properties

Compound Name2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine
PubChem CID167265005
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine
SMILESNCN1CC2CC1CO2
InChIInChI=1S/C6H12N2O/c7-4-8-2-6-1-5(8)3-9-6/h5-6H,1-4,7H2
InChIKeyMXMHEMZELXZGIP-UHFFFAOYSA-N
XLogP-0.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine with MolForge

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Related Compounds

(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane hydrobromide
CID 11159293
(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 42554306
2-Oxa-5-azabicyclo(2.2.1)heptane
CID 3614551
2,2-Difluoro-3-{2-oxa-5-azabicyclo[2.2.1]heptan-5-yl}propan-1-amine
CID 131052490
rac-2,2-difluoro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-1-amine
CID 165462578
5-Methanidyl-2-oxa-5-azoniabicyclo[2.2.1]heptane
CID 20825813
2-Oxa-5-azabicyclo[2.2.1]heptane, 5-methyl-, (1S,4S)-
CID 22967052
(1S,4S)-2-oxa-5-azoniabicyclo[2.2.1]heptane
CID 40429201
2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine
CID 55285679
(4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 57770253
(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbothioamide
CID 57960298
(1S,4R)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 58283768

Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine?
The IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine (CID 167265005) is 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine.
What is the SMILES notation for 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine?
The canonical SMILES for 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine is NCN1CC2CC1CO2.
What is the InChIKey of 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine?
The InChIKey is MXMHEMZELXZGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c7-4-8-2-6-1-5(8)3-9-6/h5-6H,1-4,7H2.
What are the key properties of 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine?
2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine has a molecular weight of 128.17 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethanamine is sourced from PubChem (CID 167265005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).