[(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine

C9H17NO2 — CID 96839564

IUPAC[(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine
SMILESNC[C@H]1CC[C@H]([C@H]2CCCO2)O1
InChIInChI=1S/C9H17NO2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h7-9H,1-6,10H2/t7-,8-,9-/m1/s1
InChIKeyHCJJGNGEJNEYQA-IWSPIJDZSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds2

About [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine

[(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine (PubChem CID 96839564) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine
PubChem CID96839564
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine
SMILESNC[C@H]1CC[C@H]([C@H]2CCCO2)O1
InChIInChI=1S/C9H17NO2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h7-9H,1-6,10H2/t7-,8-,9-/m1/s1
InChIKeyHCJJGNGEJNEYQA-IWSPIJDZSA-N
XLogP0.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,5S)-5-cyclopropyloxolan-2-yl]methanamine
CID 155905472
[(2R)-oxolan-2-yl]methanamine
CID 2734124
(1R,3S,5R,7S,12R,14S,17R,19S,21R,23S,28R,31S)-4,8,13,18,22,27,32-heptaoxaheptacyclo[17.13.0.03,17.05,14.07,12.021,31.023,28]dotriacontane
CID 101162206
2-(oxiran-2-yl)oxolane
CID 18759351
(4aS,6R,7S,9aR)-6-(hydroxymethyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-ol
CID 10965574
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
[2-(oxolan-2-yl)oxolan-3-yl]methanamine
CID 82837467
5-(oxolan-2-yl)oxolane-2-carboxylic acid
CID 71756387
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone
CID 120789174
[4-(2-aminoethyl)piperidin-1-yl]-[5-(oxolan-2-yl)oxolan-2-yl]methanone
CID 167900250
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
2-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]ethanamine
CID 142994239

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine?
The IUPAC name of [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine (CID 96839564) is [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine is NC[C@H]1CC[C@H]([C@H]2CCCO2)O1.
What is the InChIKey of [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine?
The InChIKey is HCJJGNGEJNEYQA-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H17NO2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h7-9H,1-6,10H2/t7-,8-,9-/m1/s1.
What are the key properties of [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine?
[(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine has a molecular weight of 171.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine is sourced from PubChem (CID 96839564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).