2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol

C27H37NO2 — CID 11373167

IUPAC2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol
SMILESOC1(Cc2cccc(CC3(O)C4CC5CC(C4)CC3C5)n2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C27H37NO2/c29-26(20-6-16-4-17(8-20)9-21(26)7-16)14-24-2-1-3-25(28-24)15-27(30)22-10-18-5-19(12-22)13-23(27)11-18/h1-3,16-23,29-30H,4-15H2
InChIKeyRYWAAWLUIUQBHZ-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.54
Rot. Bonds4

About 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol

2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol (PubChem CID 11373167) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol
PubChem CID11373167
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Name2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol
SMILESOC1(Cc2cccc(CC3(O)C4CC5CC(C4)CC3C5)n2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C27H37NO2/c29-26(20-6-16-4-17(8-20)9-21(26)7-16)14-24-2-1-3-25(28-24)15-27(30)22-10-18-5-19(12-22)13-23(27)11-18/h1-3,16-23,29-30H,4-15H2
InChIKeyRYWAAWLUIUQBHZ-UHFFFAOYSA-N
XLogP4.54
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol with MolForge

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Related Compounds

(R)-1-((1S,2S,3R,4aS,8aR)-1-(2-(6-ethylpyridin-2-yl)vinyl)-3-(hydroxymethyl)-decahydronaphthalen-2-yl)ethanol
CID 44416717
rel-(5R,8S)-5,6,7,8-Tetrahydro-alpha,alpha,2,5-tetramethyl-8-quinolinemethanol
CID 442529
2-[(5R,8R)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propan-2-ol
CID 1274478
1-[6-(2-Hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol
CID 11204145
2-(2,5-Dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 3280775
2-[(6-Methyl-2-pyridinyl)methyl]adamantan-2-ol
CID 10777551
2,6-Bis(2-hydroxy-2,2-diphenylethyl)pyridine
CID 11454237
3-[6-(2-Hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol
CID 122229804
cis-(1S,2S)-5-methyl-1-[2-(6-phenyl-2-pyridinyl)phenyl]-2-propan-2-ylcyclohexan-1-ol
CID 135018318
1,4-Cyclohexanediol, 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)-
CID 604505
2-[Chloro(pyridin-2-yl)methyl]adamantan-2-ol
CID 15442371
2-(Pyridin-2-ylmethyl)adamantan-2-ol
CID 10514395

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol?
The IUPAC name of 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol (CID 11373167) is 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol.
What is the SMILES notation for 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol?
The canonical SMILES for 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol is OC1(Cc2cccc(CC3(O)C4CC5CC(C4)CC3C5)n2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol?
The InChIKey is RYWAAWLUIUQBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO2/c29-26(20-6-16-4-17(8-20)9-21(26)7-16)14-24-2-1-3-25(28-24)15-27(30)22-10-18-5-19(12-22)13-23(27)11-18/h1-3,16-23,29-30H,4-15H2.
What are the key properties of 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol?
2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol has a molecular weight of 407.60 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol is sourced from PubChem (CID 11373167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).