trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine

C8H15NO2 — CID 124784404

IUPACtrans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1O[C@H]1CCCCO1
InChIInChI=1S/C8H15NO2/c9-6-5-7(6)11-8-3-1-2-4-10-8/h6-8H,1-5,9H2/t6-,7-,8+/m1/s1
InChIKeyJDCHTSRZCFQCAC-PRJMDXOYSA-N
MW157.21 g/mol
LogP0.63
Rot. Bonds2

About trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine

trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine (PubChem CID 124784404) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
PubChem CID124784404
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nametrans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1O[C@H]1CCCCO1
InChIInChI=1S/C8H15NO2/c9-6-5-7(6)11-8-3-1-2-4-10-8/h6-8H,1-5,9H2/t6-,7-,8+/m1/s1
InChIKeyJDCHTSRZCFQCAC-PRJMDXOYSA-N
XLogP0.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
N,N-dimethyl-1-[2-(oxan-2-yloxy)cyclopropyl]methanamine
CID 22325111
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125
2-cycloheptyloxyoxane
CID 11735764
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
2-(oxetan-3-yloxy)oxane
CID 54083112
2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
CID 131843933
(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 59018729
2-[[5-(1,1,2,2-tetrafluoropropyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
CID 89136997
(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
CID 10986966

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine (CID 124784404) is trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine is N[C@@H]1C[C@H]1O[C@H]1CCCCO1.
What is the InChIKey of trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine?
The InChIKey is JDCHTSRZCFQCAC-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-6-5-7(6)11-8-3-1-2-4-10-8/h6-8H,1-5,9H2/t6-,7-,8+/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine?
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine has a molecular weight of 157.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine is sourced from PubChem (CID 124784404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).