2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol

C11H22N2O — CID 68658182

IUPAC2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol
SMILESCCN1CC2CC1CN2C(C)(C)CO
InChIInChI=1S/C11H22N2O/c1-4-12-6-10-5-9(12)7-13(10)11(2,3)8-14/h9-10,14H,4-8H2,1-3H3
InChIKeyFYHJQYUXEMEUJM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds3

About 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol

2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol (PubChem CID 68658182) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol
PubChem CID68658182
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol
SMILESCCN1CC2CC1CN2C(C)(C)CO
InChIInChI=1S/C11H22N2O/c1-4-12-6-10-5-9(12)7-13(10)11(2,3)8-14/h9-10,14H,4-8H2,1-3H3
InChIKeyFYHJQYUXEMEUJM-UHFFFAOYSA-N
XLogP0.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol (CID 68658182) is 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol is CCN1CC2CC1CN2C(C)(C)CO.
What is the InChIKey of 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol?
The InChIKey is FYHJQYUXEMEUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-12-6-10-5-9(12)7-13(10)11(2,3)8-14/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol?
2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 68658182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).