2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol

C8H16N2O — CID 84763750

IUPAC2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol
SMILESCN1C2CC1CN(CCO)C2
InChIInChI=1S/C8H16N2O/c1-9-7-4-8(9)6-10(5-7)2-3-11/h7-8,11H,2-6H2,1H3
InChIKeyYKYXZVALMZJBPX-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.63
Rot. Bonds2

About 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol

2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol (PubChem CID 84763750) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol
PubChem CID84763750
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol
SMILESCN1C2CC1CN(CCO)C2
InChIInChI=1S/C8H16N2O/c1-9-7-4-8(9)6-10(5-7)2-3-11/h7-8,11H,2-6H2,1H3
InChIKeyYKYXZVALMZJBPX-UHFFFAOYSA-N
XLogP-0.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol?
The IUPAC name of 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol (CID 84763750) is 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol.
What is the SMILES notation for 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol?
The canonical SMILES for 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol is CN1C2CC1CN(CCO)C2.
What is the InChIKey of 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol?
The InChIKey is YKYXZVALMZJBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-7-4-8(9)6-10(5-7)2-3-11/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol?
2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol has a molecular weight of 156.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol is sourced from PubChem (CID 84763750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).