2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol

C19H33NO2 — CID 99822744

IUPAC2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol
SMILESC[C@H](NC[C@@]1(CCO)CCOC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO2/c1-14(20-12-18(2-4-21)3-5-22-13-18)19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17,20-21H,2-13H2,1H3/t14-,15?,16?,17?,18+,19?/m0/s1
InChIKeyLVURZCHBZZCZNA-RZVNPHJZSA-N
MW307.48 g/mol
LogP2.97
Rot. Bonds6

About 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol

2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol (PubChem CID 99822744) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol
PubChem CID99822744
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol
SMILESC[C@H](NC[C@@]1(CCO)CCOC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO2/c1-14(20-12-18(2-4-21)3-5-22-13-18)19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17,20-21H,2-13H2,1H3/t14-,15?,16?,17?,18+,19?/m0/s1
InChIKeyLVURZCHBZZCZNA-RZVNPHJZSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol?
The IUPAC name of 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol (CID 99822744) is 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol is C[C@H](NC[C@@]1(CCO)CCOC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol?
The InChIKey is LVURZCHBZZCZNA-RZVNPHJZSA-N. The full InChI is InChI=1S/C19H33NO2/c1-14(20-12-18(2-4-21)3-5-22-13-18)19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17,20-21H,2-13H2,1H3/t14-,15?,16?,17?,18+,19?/m0/s1.
What are the key properties of 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol?
2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol has a molecular weight of 307.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[[(1S)-1-(1-adamantyl)ethyl]amino]methyl]oxolan-3-yl]ethanol is sourced from PubChem (CID 99822744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).