2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane

C9H18N2 — CID 2760902

IUPAC2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)CN1CC2CC1CN2
InChIInChI=1S/C9H18N2/c1-7(2)5-11-6-8-3-9(11)4-10-8/h7-10H,3-6H2,1-2H3
InChIKeyJIRUDBXQVKFUSL-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds2

About 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane

2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 2760902) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID2760902
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)CN1CC2CC1CN2
InChIInChI=1S/C9H18N2/c1-7(2)5-11-6-8-3-9(11)4-10-8/h7-10H,3-6H2,1-2H3
InChIKeyJIRUDBXQVKFUSL-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane (CID 2760902) is 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)CN1CC2CC1CN2.
What is the InChIKey of 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is JIRUDBXQVKFUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)5-11-6-8-3-9(11)4-10-8/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 2760902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).