2-(1-adamantyl)-2-aminoethanol;hydrochloride

C12H22ClNO — CID 2835978

IUPAC2-(1-adamantyl)-2-aminoethanol;hydrochloride
SMILESCl.NC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO.ClH/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-11,14H,1-7,13H2;1H
InChIKeyRSUUPNDVLLFMNY-UHFFFAOYSA-N
MW231.77 g/mol
LogP1.94
Rot. Bonds2

About 2-(1-adamantyl)-2-aminoethanol;hydrochloride

2-(1-adamantyl)-2-aminoethanol;hydrochloride (PubChem CID 2835978) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-aminoethanol;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantyl)-2-aminoethanol;hydrochloride
PubChem CID2835978
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-(1-adamantyl)-2-aminoethanol;hydrochloride
SMILESCl.NC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO.ClH/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-11,14H,1-7,13H2;1H
InChIKeyRSUUPNDVLLFMNY-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-adamantyl)-2-aminoethanol;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 2-(1-adamantyl)-2-aminoethanol;hydrochloride?
The IUPAC name of 2-(1-adamantyl)-2-aminoethanol;hydrochloride (CID 2835978) is 2-(1-adamantyl)-2-aminoethanol;hydrochloride.
What is the SMILES notation for 2-(1-adamantyl)-2-aminoethanol;hydrochloride?
The canonical SMILES for 2-(1-adamantyl)-2-aminoethanol;hydrochloride is Cl.NC(CO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-aminoethanol;hydrochloride?
The InChIKey is RSUUPNDVLLFMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.ClH/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-11,14H,1-7,13H2;1H.
What are the key properties of 2-(1-adamantyl)-2-aminoethanol;hydrochloride?
2-(1-adamantyl)-2-aminoethanol;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-aminoethanol;hydrochloride is sourced from PubChem (CID 2835978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).