2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol

C11H22N2O — CID 58311492

IUPAC2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESCC(C)(C)N1CC2CC1CN2CCO
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-8-9-6-10(13)7-12(9)4-5-14/h9-10,14H,4-8H2,1-3H3
InChIKeyAHISRLGOYRSZIY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds2

About 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol

2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol (PubChem CID 58311492) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol
PubChem CID58311492
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESCC(C)(C)N1CC2CC1CN2CCO
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-8-9-6-10(13)7-12(9)4-5-14/h9-10,14H,4-8H2,1-3H3
InChIKeyAHISRLGOYRSZIY-UHFFFAOYSA-N
XLogP0.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 134820978
2-[(1S,4S)-5-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 134820980
2-[(1S,4S)-5-(2,2,2-trifluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 134820982
2-(5-Methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol
CID 16639277
2,5-Diazabicyclo[2.2.1]heptane-2,5-diethanol
CID 45115673
2-Tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 58311734
2-Methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol
CID 59603527
2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol
CID 59605458
2-(1S,4S)-2,5-Diazabicyclo[2.2.1]hept-2-yl-2-methylpropan-1-ol
CID 67492507
2-(5-Ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol
CID 68250288
2-Ethyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 68250443
2-(5-Ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol
CID 68658182

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol?
The IUPAC name of 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol (CID 58311492) is 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol.
What is the SMILES notation for 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol?
The canonical SMILES for 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol is CC(C)(C)N1CC2CC1CN2CCO.
What is the InChIKey of 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol?
The InChIKey is AHISRLGOYRSZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)13-8-9-6-10(13)7-12(9)4-5-14/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol?
2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol is sourced from PubChem (CID 58311492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).