adamantane;hydrobromide

C10H17Br — CID 68587587

IUPACadamantane;hydrobromide
SMILESBr.C1C2CC3CC1CC(C2)C3
InChIInChI=1S/C10H16.BrH/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h7-10H,1-6H2;1H
InChIKeyHZEWUCGFHWYCHP-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.41
Rot. Bonds

About adamantane;hydrobromide

adamantane;hydrobromide (PubChem CID 68587587) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is adamantane;hydrobromide.

Molecular Properties

Compound Nameadamantane;hydrobromide
PubChem CID68587587
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Nameadamantane;hydrobromide
SMILESBr.C1C2CC3CC1CC(C2)C3
InChIInChI=1S/C10H16.BrH/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h7-10H,1-6H2;1H
InChIKeyHZEWUCGFHWYCHP-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of adamantane;hydrobromide?
The IUPAC name of adamantane;hydrobromide (CID 68587587) is adamantane;hydrobromide.
What is the SMILES notation for adamantane;hydrobromide?
The canonical SMILES for adamantane;hydrobromide is Br.C1C2CC3CC1CC(C2)C3.
What is the InChIKey of adamantane;hydrobromide?
The InChIKey is HZEWUCGFHWYCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.BrH/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;hydrobromide?
adamantane;hydrobromide has a molecular weight of 217.15 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;hydrobromide is sourced from PubChem (CID 68587587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).