5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene

C10H18N2 — CID 146385195

IUPAC5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene
SMILESCCN1CCN(C)C2=C(CC2)C1
InChIInChI=1S/C10H18N2/c1-3-12-7-6-11(2)10-5-4-9(10)8-12/h3-8H2,1-2H3
InChIKeyXNHLORYPTDJTLY-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.30
Rot. Bonds1

About 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene

5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene (PubChem CID 146385195) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene.

Molecular Properties

Compound Name5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene
PubChem CID146385195
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene
SMILESCCN1CCN(C)C2=C(CC2)C1
InChIInChI=1S/C10H18N2/c1-3-12-7-6-11(2)10-5-4-9(10)8-12/h3-8H2,1-2H3
InChIKeyXNHLORYPTDJTLY-UHFFFAOYSA-N
XLogP1.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene?
The IUPAC name of 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene (CID 146385195) is 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene.
What is the SMILES notation for 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene?
The canonical SMILES for 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene is CCN1CCN(C)C2=C(CC2)C1.
What is the InChIKey of 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene?
The InChIKey is XNHLORYPTDJTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-12-7-6-11(2)10-5-4-9(10)8-12/h3-8H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene?
5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene has a molecular weight of 166.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-2,5-diazabicyclo[5.2.0]non-1(7)-ene is sourced from PubChem (CID 146385195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).