2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane

C12H24N2 — CID 91304973

IUPAC2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)CC12CCC(CN1C)N(C)C2
InChIInChI=1S/C12H24N2/c1-10(2)7-12-6-5-11(8-14(12)4)13(3)9-12/h10-11H,5-9H2,1-4H3
InChIKeyNMIRTDIEULSOMC-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.81
Rot. Bonds2

About 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane

2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane (PubChem CID 91304973) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
PubChem CID91304973
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)CC12CCC(CN1C)N(C)C2
InChIInChI=1S/C12H24N2/c1-10(2)7-12-6-5-11(8-14(12)4)13(3)9-12/h10-11H,5-9H2,1-4H3
InChIKeyNMIRTDIEULSOMC-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane (CID 91304973) is 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane is CC(C)CC12CCC(CN1C)N(C)C2.
What is the InChIKey of 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is NMIRTDIEULSOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)7-12-6-5-11(8-14(12)4)13(3)9-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane?
2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 196.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 91304973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).