5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride

C8H16ClNO — CID 155970536

IUPAC5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride
SMILESCl.NC1CC2CCC1CC2O
InChIInChI=1S/C8H15NO.ClH/c9-7-3-6-2-1-5(7)4-8(6)10;/h5-8,10H,1-4,9H2;1H
InChIKeyMQDDUUSNIKQLFT-UHFFFAOYSA-N
MW177.67 g/mol
LogP0.92
Rot. Bonds

About 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride

5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride (PubChem CID 155970536) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride.

Molecular Properties

Compound Name5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride
PubChem CID155970536
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride
SMILESCl.NC1CC2CCC1CC2O
InChIInChI=1S/C8H15NO.ClH/c9-7-3-6-2-1-5(7)4-8(6)10;/h5-8,10H,1-4,9H2;1H
InChIKeyMQDDUUSNIKQLFT-UHFFFAOYSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4S,5R,8R)-5-aminobicyclo[6.1.0]nonan-4-ol
CID 125454997
(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol
CID 98069750
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine
CID 11423598
bicyclo[2.2.1]heptane-2,5-diamine
CID 4169642
bicyclo[2.2.1]heptan-2-amine;platinum(2+)
CID 21144668
bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride
CID 146472088
bicyclo[2.2.1]heptan-2-ol;ethane
CID 143739215
bicyclo[2.2.2]octan-2-amine
CID 13239288
bicyclo[3.1.0]hexan-2-amine;hydrochloride
CID 78172525
bis(2-aminocyclopentan-1-ol);dihydrochloride
CID 154776416
cis-(1S,2R)-2-aminocyclopentan-1-ol;hydrochloride
CID 17039404

Frequently Asked Questions

What is the IUPAC name of 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride?
The IUPAC name of 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride (CID 155970536) is 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride.
What is the SMILES notation for 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride?
The canonical SMILES for 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride is Cl.NC1CC2CCC1CC2O.
What is the InChIKey of 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride?
The InChIKey is MQDDUUSNIKQLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c9-7-3-6-2-1-5(7)4-8(6)10;/h5-8,10H,1-4,9H2;1H.
What are the key properties of 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride?
5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminobicyclo[2.2.2]octan-2-ol;hydrochloride is sourced from PubChem (CID 155970536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).