1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol

C18H31NO2 — CID 64599683

IUPAC1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol
SMILESCOCC1CCN(CC(O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H31NO2/c1-21-12-13-2-3-19(10-13)11-17(20)18-7-14-4-15(8-18)6-16(5-14)9-18/h13-17,20H,2-12H2,1H3
InChIKeyGUNVMYFAJNMCJJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.53
Rot. Bonds5

About 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol

1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol (PubChem CID 64599683) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol
PubChem CID64599683
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol
SMILESCOCC1CCN(CC(O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H31NO2/c1-21-12-13-2-3-19(10-13)11-17(20)18-7-14-4-15(8-18)6-16(5-14)9-18/h13-17,20H,2-12H2,1H3
InChIKeyGUNVMYFAJNMCJJ-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-(1-adamantyl)-2-(4-methylazepan-1-yl)ethanol
CID 63622472
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
CID 64597263
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol
CID 64597053
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
1-cyclopentyl-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103160053
1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol (CID 64599683) is 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol is COCC1CCN(CC(O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is GUNVMYFAJNMCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-21-12-13-2-3-19(10-13)11-17(20)18-7-14-4-15(8-18)6-16(5-14)9-18/h13-17,20H,2-12H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol?
1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 293.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 64599683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).