adamantane;hydrochloride

C10H17Cl — CID 66618286

IUPACadamantane;hydrochloride
SMILESC1C2CC3CC1CC(C2)C3.Cl
InChIInChI=1S/C10H16.ClH/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h7-10H,1-6H2;1H
InChIKeyUPWLURAENVJIJL-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.25
Rot. Bonds

About adamantane;hydrochloride

adamantane;hydrochloride (PubChem CID 66618286) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is adamantane;hydrochloride.

Molecular Properties

Compound Nameadamantane;hydrochloride
PubChem CID66618286
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Nameadamantane;hydrochloride
SMILESC1C2CC3CC1CC(C2)C3.Cl
InChIInChI=1S/C10H16.ClH/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h7-10H,1-6H2;1H
InChIKeyUPWLURAENVJIJL-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of adamantane;hydrochloride?
The IUPAC name of adamantane;hydrochloride (CID 66618286) is adamantane;hydrochloride.
What is the SMILES notation for adamantane;hydrochloride?
The canonical SMILES for adamantane;hydrochloride is C1C2CC3CC1CC(C2)C3.Cl.
What is the InChIKey of adamantane;hydrochloride?
The InChIKey is UPWLURAENVJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.ClH/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h7-10H,1-6H2;1H.
What are the key properties of adamantane;hydrochloride?
adamantane;hydrochloride has a molecular weight of 172.70 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;hydrochloride is sourced from PubChem (CID 66618286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).