2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane

C10H20N2 — CID 59691677

IUPAC2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane
SMILESCC(C)CC1CN2CCN1CC2
InChIInChI=1S/C10H20N2/c1-9(2)7-10-8-11-3-5-12(10)6-4-11/h9-10H,3-8H2,1-2H3
InChIKeyUVZNTJRAMYBBSV-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.03
Rot. Bonds2

About 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane

2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane (PubChem CID 59691677) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane
PubChem CID59691677
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane
SMILESCC(C)CC1CN2CCN1CC2
InChIInChI=1S/C10H20N2/c1-9(2)7-10-8-11-3-5-12(10)6-4-11/h9-10H,3-8H2,1-2H3
InChIKeyUVZNTJRAMYBBSV-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane (CID 59691677) is 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane is CC(C)CC1CN2CCN1CC2.
What is the InChIKey of 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane?
The InChIKey is UVZNTJRAMYBBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)7-10-8-11-3-5-12(10)6-4-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane?
2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane has a molecular weight of 168.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,4-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 59691677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).