1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium

C24H43NO3Y-2 — CID 161401885

IUPAC1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium
SMILESCO.OC12CC3CC(C1)C(C3)C2.OC12CCCN(CCC1)C2.[CH-]1CC[CH-]CC1.[Y]
InChIInChI=1S/C9H14O.C8H15NO.C6H10.CH4O.Y/c10-9-3-6-1-7(4-9)8(2-6)5-9;10-8-3-1-5-9(7-8)6-2-4-8;1-2-4-6-5-3-1;1-2;/h6-8,10H,1-5H2;10H,1-7H2;1,6H,2-5H2;2H,1H3;/q;;-2;;
InChIKeyDGFUBLVMJVEDJM-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.74
Rot. Bonds

About 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium

1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium (PubChem CID 161401885) has the molecular formula C24H43NO3Y-2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium.

Molecular Properties

Compound Name1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium
PubChem CID161401885
Molecular FormulaC24H43NO3Y-2
Molecular Weight482.52 g/mol
Exact Mass482.23
IUPAC Name1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium
SMILESCO.OC12CC3CC(C1)C(C3)C2.OC12CCCN(CCC1)C2.[CH-]1CC[CH-]CC1.[Y]
InChIInChI=1S/C9H14O.C8H15NO.C6H10.CH4O.Y/c10-9-3-6-1-7(4-9)8(2-6)5-9;10-8-3-1-5-9(7-8)6-2-4-8;1-2-4-6-5-3-1;1-2;/h6-8,10H,1-5H2;10H,1-7H2;1,6H,2-5H2;2H,1H3;/q;;-2;;
InChIKeyDGFUBLVMJVEDJM-UHFFFAOYSA-N
XLogP3.74
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5R)-4-piperidin-1-yladamantan-1-ol;hydrochloride
CID 163325638
2-(5-hydroxy-2-adamantyl)-8a-methyl-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
CID 44599218
1-(5-hydroxy-2-adamantyl)-3,4,4-trimethylimidazolidin-2-one
CID 57495541
adamantan-1-ol;azane
CID 66728775
4-aminoadamantan-1-ol;hydrate;hydrochloride
CID 174624676
2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
CID 44599544
1'-(5-hydroxy-2-adamantyl)-3'-methylspiro[1,3-dihydroindene-2,4'-imidazolidine]-2'-one
CID 57495538
1-azatricyclo[3.3.1.03,7]nonan-5-ol
CID 88987466
acetaldehyde;adamantan-1-ol
CID 175101814
(5-hydroxy-2-adamantyl) 2,2-difluoropropanoate
CID 58108063
5-(5-hydroxy-2-adamantyl)-1-methyl-5-propan-2-ylimidazolidin-2-one
CID 68903702
1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one
CID 68907576

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium?
The IUPAC name of 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium (CID 161401885) is 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium.
What is the SMILES notation for 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium?
The canonical SMILES for 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium is CO.OC12CC3CC(C1)C(C3)C2.OC12CCCN(CCC1)C2.[CH-]1CC[CH-]CC1.[Y].
What is the InChIKey of 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium?
The InChIKey is DGFUBLVMJVEDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C8H15NO.C6H10.CH4O.Y/c10-9-3-6-1-7(4-9)8(2-6)5-9;10-8-3-1-5-9(7-8)6-2-4-8;1-2-4-6-5-3-1;1-2;/h6-8,10H,1-5H2;10H,1-7H2;1,6H,2-5H2;2H,1H3;/q;;-2;;.
What are the key properties of 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium?
1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium has a molecular weight of 482.52 g/mol, XLogP of 3.74, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.3.1]nonan-5-ol;cyclohexane;methanol;tricyclo[3.3.1.03,7]nonan-1-ol;yttrium is sourced from PubChem (CID 161401885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).