2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane

C12H24N2O — CID 129134135

IUPAC2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CCOC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)15-6-5-14-9-10-7-11(14)8-13(10)4/h10-11H,5-9H2,1-4H3
InChIKeyGEFZDUYZJBNVLR-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds3

About 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 129134135) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID129134135
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CCOC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-12(2,3)15-6-5-14-9-10-7-11(14)8-13(10)4/h10-11H,5-9H2,1-4H3
InChIKeyGEFZDUYZJBNVLR-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane (CID 129134135) is 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane is CN1CC2CC1CN2CCOC(C)(C)C.
What is the InChIKey of 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is GEFZDUYZJBNVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)15-6-5-14-9-10-7-11(14)8-13(10)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 212.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 129134135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).