4-amino-1-ethylbicyclo[2.2.2]octan-2-ol

C10H19NO — CID 122539385

IUPAC4-amino-1-ethylbicyclo[2.2.2]octan-2-ol
SMILESCCC12CCC(N)(CC1)CC2O
InChIInChI=1S/C10H19NO/c1-2-9-3-5-10(11,6-4-9)7-8(9)12/h8,12H,2-7,11H2,1H3
InChIKeyCOMGQUQNPHXLBY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.42
Rot. Bonds1

About 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol

4-amino-1-ethylbicyclo[2.2.2]octan-2-ol (PubChem CID 122539385) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name4-amino-1-ethylbicyclo[2.2.2]octan-2-ol
PubChem CID122539385
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-amino-1-ethylbicyclo[2.2.2]octan-2-ol
SMILESCCC12CCC(N)(CC1)CC2O
InChIInChI=1S/C10H19NO/c1-2-9-3-5-10(11,6-4-9)7-8(9)12/h8,12H,2-7,11H2,1H3
InChIKeyCOMGQUQNPHXLBY-UHFFFAOYSA-N
XLogP1.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-1-ethylcyclobutane-1,2-diol
CID 102159302
(2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol
CID 163633653
[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 151824416
[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 155092848
3,3-diethylcyclopentan-1-amine;methanol
CID 174812528
4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol
CID 123385352
3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
4-ethylbicyclo[2.2.0]hexan-1-amine
CID 123666480
1-ethylbicyclo[2.2.0]hexane
CID 90977886
(1S,2R,5R)-5-ethyl-2,5-dimethylcyclohexan-1-ol
CID 130762477
ethyl 2-(1,2-dihydroxy-4,4-dimethoxycyclopentyl)acetate
CID 10658175
1-amino-2-ethylcyclopropan-1-ol
CID 163837248

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol (CID 122539385) is 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol is CCC12CCC(N)(CC1)CC2O.
What is the InChIKey of 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol?
The InChIKey is COMGQUQNPHXLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-9-3-5-10(11,6-4-9)7-8(9)12/h8,12H,2-7,11H2,1H3.
What are the key properties of 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol?
4-amino-1-ethylbicyclo[2.2.2]octan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 122539385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).