5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol

C20H29NO — CID 134204444

IUPAC5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol
SMILESCC(C)(C)CC12CC3CC(C1)C(O)(c1ccncc1)C(C3)C2
InChIInChI=1S/C20H29NO/c1-18(2,3)13-19-10-14-8-16(11-19)20(22,17(9-14)12-19)15-4-6-21-7-5-15/h4-7,14,16-17,22H,8-13H2,1-3H3
InChIKeyQUWXAXHOBWHCCB-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.53
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol

5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol (PubChem CID 134204444) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol
PubChem CID134204444
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol
SMILESCC(C)(C)CC12CC3CC(C1)C(O)(c1ccncc1)C(C3)C2
InChIInChI=1S/C20H29NO/c1-18(2,3)13-19-10-14-8-16(11-19)20(22,17(9-14)12-19)15-4-6-21-7-5-15/h4-7,14,16-17,22H,8-13H2,1-3H3
InChIKeyQUWXAXHOBWHCCB-UHFFFAOYSA-N
XLogP4.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol (CID 134204444) is 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol is CC(C)(C)CC12CC3CC(C1)C(O)(c1ccncc1)C(C3)C2.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol?
The InChIKey is QUWXAXHOBWHCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-18(2,3)13-19-10-14-8-16(11-19)20(22,17(9-14)12-19)15-4-6-21-7-5-15/h4-7,14,16-17,22H,8-13H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol?
5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol has a molecular weight of 299.46 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-pyridin-4-yladamantan-2-ol is sourced from PubChem (CID 134204444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).