4-aminoadamantan-1-ol;hydrate;hydrochloride

C10H20ClNO2 — CID 174624676

IUPAC4-aminoadamantan-1-ol;hydrate;hydrochloride
SMILESCl.NC1C2CC3CC1CC(O)(C3)C2.O
InChIInChI=1S/C10H17NO.ClH.H2O/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;;/h6-9,12H,1-5,11H2;1H;1H2
InChIKeyUQSBCHOIXKGNAE-UHFFFAOYSA-N
MW221.73 g/mol
LogP0.48
Rot. Bonds

About 4-aminoadamantan-1-ol;hydrate;hydrochloride

4-aminoadamantan-1-ol;hydrate;hydrochloride (PubChem CID 174624676) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 4-aminoadamantan-1-ol;hydrate;hydrochloride.

Molecular Properties

Compound Name4-aminoadamantan-1-ol;hydrate;hydrochloride
PubChem CID174624676
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name4-aminoadamantan-1-ol;hydrate;hydrochloride
SMILESCl.NC1C2CC3CC1CC(O)(C3)C2.O
InChIInChI=1S/C10H17NO.ClH.H2O/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;;/h6-9,12H,1-5,11H2;1H;1H2
InChIKeyUQSBCHOIXKGNAE-UHFFFAOYSA-N
XLogP0.48
TPSA77.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminoadamantan-1-ol;hydrate;hydrochloride?
The IUPAC name of 4-aminoadamantan-1-ol;hydrate;hydrochloride (CID 174624676) is 4-aminoadamantan-1-ol;hydrate;hydrochloride.
What is the SMILES notation for 4-aminoadamantan-1-ol;hydrate;hydrochloride?
The canonical SMILES for 4-aminoadamantan-1-ol;hydrate;hydrochloride is Cl.NC1C2CC3CC1CC(O)(C3)C2.O.
What is the InChIKey of 4-aminoadamantan-1-ol;hydrate;hydrochloride?
The InChIKey is UQSBCHOIXKGNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH.H2O/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;;/h6-9,12H,1-5,11H2;1H;1H2.
What are the key properties of 4-aminoadamantan-1-ol;hydrate;hydrochloride?
4-aminoadamantan-1-ol;hydrate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoadamantan-1-ol;hydrate;hydrochloride is sourced from PubChem (CID 174624676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).