6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene

C9H16N2 — CID 118232211

IUPAC6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene
SMILESCC1=C(C)N2CCCN1CC2
InChIInChI=1S/C9H16N2/c1-8-9(2)11-5-3-4-10(8)6-7-11/h3-7H2,1-2H3
InChIKeyLSFXYKWCTLVRFP-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.26
Rot. Bonds

About 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene

6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene (PubChem CID 118232211) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene.

Molecular Properties

Compound Name6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene
PubChem CID118232211
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene
SMILESCC1=C(C)N2CCCN1CC2
InChIInChI=1S/C9H16N2/c1-8-9(2)11-5-3-4-10(8)6-7-11/h3-7H2,1-2H3
InChIKeyLSFXYKWCTLVRFP-UHFFFAOYSA-N
XLogP1.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene?
The IUPAC name of 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene (CID 118232211) is 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene.
What is the SMILES notation for 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene?
The canonical SMILES for 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene is CC1=C(C)N2CCCN1CC2.
What is the InChIKey of 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene?
The InChIKey is LSFXYKWCTLVRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-9(2)11-5-3-4-10(8)6-7-11/h3-7H2,1-2H3.
What are the key properties of 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene?
6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene has a molecular weight of 152.24 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,5-diazabicyclo[3.2.2]non-6-ene is sourced from PubChem (CID 118232211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).