2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine

C7H14N2O — CID 55285679

IUPAC2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine
SMILESNCCN1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C7H14N2O/c8-1-2-9-4-7-3-6(9)5-10-7/h6-7H,1-5,8H2/t6-,7-/m0/s1
InChIKeyOESOAVWKEOJJNZ-BQBZGAKWSA-N
MW142.20 g/mol
LogP-0.58
Rot. Bonds2

About 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine

2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine (PubChem CID 55285679) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine.

Molecular Properties

Compound Name2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine
PubChem CID55285679
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine
SMILESNCCN1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C7H14N2O/c8-1-2-9-4-7-3-6(9)5-10-7/h6-7H,1-5,8H2/t6-,7-/m0/s1
InChIKeyOESOAVWKEOJJNZ-BQBZGAKWSA-N
XLogP-0.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
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
hydron;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;chloride
CID 156473502
2,2-Difluoro-3-{2-oxa-5-azabicyclo[2.2.1]heptan-5-yl}propan-1-amine
CID 131052490
(1R,4R)-7-Fluoro-2-oxa-5-azabicyclo[2.2.1]heptane
CID 135395693
rac-2,2-difluoro-3-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propan-1-amine
CID 165462578

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine?
The IUPAC name of 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine (CID 55285679) is 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine.
What is the SMILES notation for 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine?
The canonical SMILES for 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine is NCCN1C[C@@H]2C[C@H]1CO2.
What is the InChIKey of 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine?
The InChIKey is OESOAVWKEOJJNZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14N2O/c8-1-2-9-4-7-3-6(9)5-10-7/h6-7H,1-5,8H2/t6-,7-/m0/s1.
What are the key properties of 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine?
2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine has a molecular weight of 142.20 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanamine is sourced from PubChem (CID 55285679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).