3-(dimethylamino)adamantan-1-ol;hydrochloride

C12H22ClNO — CID 2941672

IUPAC3-(dimethylamino)adamantan-1-ol;hydrochloride
SMILESCN(C)C12CC3CC(CC(O)(C3)C1)C2.Cl
InChIInChI=1S/C12H21NO.ClH/c1-13(2)11-4-9-3-10(5-11)7-12(14,6-9)8-11;/h9-10,14H,3-8H2,1-2H3;1H
InChIKeyQOJXFSWTZHAEBD-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.05
Rot. Bonds1

About 3-(dimethylamino)adamantan-1-ol;hydrochloride

3-(dimethylamino)adamantan-1-ol;hydrochloride (PubChem CID 2941672) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 3-(dimethylamino)adamantan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)adamantan-1-ol;hydrochloride
PubChem CID2941672
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name3-(dimethylamino)adamantan-1-ol;hydrochloride
SMILESCN(C)C12CC3CC(CC(O)(C3)C1)C2.Cl
InChIInChI=1S/C12H21NO.ClH/c1-13(2)11-4-9-3-10(5-11)7-12(14,6-9)8-11;/h9-10,14H,3-8H2,1-2H3;1H
InChIKeyQOJXFSWTZHAEBD-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)adamantan-1-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)adamantan-1-ol;hydrochloride?
The IUPAC name of 3-(dimethylamino)adamantan-1-ol;hydrochloride (CID 2941672) is 3-(dimethylamino)adamantan-1-ol;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)adamantan-1-ol;hydrochloride?
The canonical SMILES for 3-(dimethylamino)adamantan-1-ol;hydrochloride is CN(C)C12CC3CC(CC(O)(C3)C1)C2.Cl.
What is the InChIKey of 3-(dimethylamino)adamantan-1-ol;hydrochloride?
The InChIKey is QOJXFSWTZHAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.ClH/c1-13(2)11-4-9-3-10(5-11)7-12(14,6-9)8-11;/h9-10,14H,3-8H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)adamantan-1-ol;hydrochloride?
3-(dimethylamino)adamantan-1-ol;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)adamantan-1-ol;hydrochloride is sourced from PubChem (CID 2941672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).