7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane

C9H18N2 — CID 123798369

IUPAC7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCC1C2CN(C)C1CN2C
InChIInChI=1S/C9H18N2/c1-4-7-8-6-11(3)9(7)5-10(8)2/h7-9H,4-6H2,1-3H3
InChIKeyBPUSCJICOJJGPX-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.64
Rot. Bonds1

About 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane

7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 123798369) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID123798369
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCC1C2CN(C)C1CN2C
InChIInChI=1S/C9H18N2/c1-4-7-8-6-11(3)9(7)5-10(8)2/h7-9H,4-6H2,1-3H3
InChIKeyBPUSCJICOJJGPX-UHFFFAOYSA-N
XLogP0.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane (CID 123798369) is 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane is CCC1C2CN(C)C1CN2C.
What is the InChIKey of 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is BPUSCJICOJJGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-7-8-6-11(3)9(7)5-10(8)2/h7-9H,4-6H2,1-3H3.
What are the key properties of 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane?
7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 123798369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).