2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane

C8H16N2 — CID 118509185

IUPAC2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC1C2CC(CN2C)N1C
InChIInChI=1S/C8H16N2/c1-6-8-4-7(10(6)3)5-9(8)2/h6-8H,4-5H2,1-3H3
InChIKeyIZCMWLFHWIYJDY-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.39
Rot. Bonds

About 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane

2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 118509185) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID118509185
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC1C2CC(CN2C)N1C
InChIInChI=1S/C8H16N2/c1-6-8-4-7(10(6)3)5-9(8)2/h6-8H,4-5H2,1-3H3
InChIKeyIZCMWLFHWIYJDY-UHFFFAOYSA-N
XLogP0.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane (CID 118509185) is 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane is CC1C2CC(CN2C)N1C.
What is the InChIKey of 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is IZCMWLFHWIYJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-8-4-7(10(6)3)5-9(8)2/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane?
2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 140.23 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 118509185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).