ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane

C11H27NO2 — CID 177009879

IUPACethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane
SMILESC.CC.CCN1CC[C@H](O)[C@H]1[C@H](C)O
InChIInChI=1S/C8H17NO2.C2H6.CH4/c1-3-9-5-4-7(11)8(9)6(2)10;1-2;/h6-8,10-11H,3-5H2,1-2H3;1-2H3;1H4/t6-,7-,8+;;/m0../s1
InChIKeyHTVPNFRKOWJFFK-BNJBZVRKSA-N
MW205.34 g/mol
LogP1.48
Rot. Bonds2

About ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane

ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane (PubChem CID 177009879) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane.

Molecular Properties

Compound Nameethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane
PubChem CID177009879
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Nameethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane
SMILESC.CC.CCN1CC[C@H](O)[C@H]1[C@H](C)O
InChIInChI=1S/C8H17NO2.C2H6.CH4/c1-3-9-5-4-7(11)8(9)6(2)10;1-2;/h6-8,10-11H,3-5H2,1-2H3;1-2H3;1H4/t6-,7-,8+;;/m0../s1
InChIKeyHTVPNFRKOWJFFK-BNJBZVRKSA-N
XLogP1.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
2-[4-(aminomethyl)phenyl]-1-ethylpyrrolidin-3-ol
CID 105476170
(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009798
1-[1-(1-aminopropan-2-yl)piperidin-4-yl]ethanol
CID 106835616
(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 146572367
1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
CID 130557984
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
(2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
CID 130557930
(2S,3R)-2-methyl-1-propylpyrrolidin-3-ol
CID 130813850
(1-ethyl-2-methylpyrrolidin-3-yl)methanamine
CID 117022133

Frequently Asked Questions

What is the IUPAC name of ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane?
The IUPAC name of ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane (CID 177009879) is ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane.
What is the SMILES notation for ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane?
The canonical SMILES for ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane is C.CC.CCN1CC[C@H](O)[C@H]1[C@H](C)O.
What is the InChIKey of ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane?
The InChIKey is HTVPNFRKOWJFFK-BNJBZVRKSA-N. The full InChI is InChI=1S/C8H17NO2.C2H6.CH4/c1-3-9-5-4-7(11)8(9)6(2)10;1-2;/h6-8,10-11H,3-5H2,1-2H3;1-2H3;1H4/t6-,7-,8+;;/m0../s1.
What are the key properties of ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane?
ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane has a molecular weight of 205.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane is sourced from PubChem (CID 177009879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).