4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene

C13H17N — CID 23382331

IUPAC4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
SMILESCN1CCc2cc3c(cc21)CC3(C)C
InChIInChI=1S/C13H17N/c1-13(2)8-10-7-12-9(6-11(10)13)4-5-14(12)3/h6-7H,4-5,8H2,1-3H3
InChIKeyUZPMRFBSRRAPNZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.51
Rot. Bonds

About 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene

4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene (PubChem CID 23382331) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene.

Molecular Properties

Compound Name4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
PubChem CID23382331
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
SMILESCN1CCc2cc3c(cc21)CC3(C)C
InChIInChI=1S/C13H17N/c1-13(2)8-10-7-12-9(6-11(10)13)4-5-14(12)3/h6-7H,4-5,8H2,1-3H3
InChIKeyUZPMRFBSRRAPNZ-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole
CID 160582577
1,6-dimethyl-2,3-dihydroindole
CID 59833304
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole
CID 23382333
5-bromo-6-chloro-1-methyl-2,3-dihydroindole
CID 82622881
6-ethynyl-1-methyl-2,3-dihydroindole
CID 130132980
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385729
6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385606
1,4,4-trimethyl-2,3-dihydroquinolin-6-amine
CID 53407083
2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol
CID 117294166

Frequently Asked Questions

What is the IUPAC name of 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene?
The IUPAC name of 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene (CID 23382331) is 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene.
What is the SMILES notation for 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene?
The canonical SMILES for 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene is CN1CCc2cc3c(cc21)CC3(C)C.
What is the InChIKey of 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene?
The InChIKey is UZPMRFBSRRAPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-13(2)8-10-7-12-9(6-11(10)13)4-5-14(12)3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene?
4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene has a molecular weight of 187.29 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene is sourced from PubChem (CID 23382331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).