2-oxa-5-azabicyclo[2.2.1]heptan-6-amine

C5H10N2O — CID 170011852

IUPAC2-oxa-5-azabicyclo[2.2.1]heptan-6-amine
SMILESNC1NC2COC1C2
InChIInChI=1S/C5H10N2O/c6-5-4-1-3(7-5)2-8-4/h3-5,7H,1-2,6H2
InChIKeyNWWCAKCTXIFWTO-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.97
Rot. Bonds

About 2-oxa-5-azabicyclo[2.2.1]heptan-6-amine

2-oxa-5-azabicyclo[2.2.1]heptan-6-amine (PubChem CID 170011852) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-oxa-5-azabicyclo[2.2.1]heptan-6-amine.

Molecular Properties

Compound Name2-oxa-5-azabicyclo[2.2.1]heptan-6-amine
PubChem CID170011852
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-oxa-5-azabicyclo[2.2.1]heptan-6-amine
SMILESNC1NC2COC1C2
InChIInChI=1S/C5H10N2O/c6-5-4-1-3(7-5)2-8-4/h3-5,7H,1-2,6H2
InChIKeyNWWCAKCTXIFWTO-UHFFFAOYSA-N
XLogP-0.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-2-oxa-5-azabicyclo(2.2.1)heptane hydrochloride
CID 21303398
(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane hydrobromide
CID 11159293
2-Oxa-5-azabicyclo[2.2.1]heptane hydrochloride
CID 21914364
(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 42554306
(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane hydrochloride
CID 66582511
2-Oxa-5-azabicyclo(2.2.1)heptane
CID 3614551
7-Fluoro-2-oxa-5-azabicyclo[2.2.1]heptane
CID 117688566
(1S,4S)-7-Fluoro-2-oxa-5-azabicyclo[2.2.1]heptane
CID 118876437
3-(Trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 130061644
hydron;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;chloride
CID 156473502
(1R,3R,4S)-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 124251434
(1R,3S,4S)-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 124251435

Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-6-amine?
The IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-6-amine (CID 170011852) is 2-oxa-5-azabicyclo[2.2.1]heptan-6-amine.
What is the SMILES notation for 2-oxa-5-azabicyclo[2.2.1]heptan-6-amine?
The canonical SMILES for 2-oxa-5-azabicyclo[2.2.1]heptan-6-amine is NC1NC2COC1C2.
What is the InChIKey of 2-oxa-5-azabicyclo[2.2.1]heptan-6-amine?
The InChIKey is NWWCAKCTXIFWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-5-4-1-3(7-5)2-8-4/h3-5,7H,1-2,6H2.
What are the key properties of 2-oxa-5-azabicyclo[2.2.1]heptan-6-amine?
2-oxa-5-azabicyclo[2.2.1]heptan-6-amine has a molecular weight of 114.15 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 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-6-amine is sourced from PubChem (CID 170011852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).