4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C12H15N — CID 23246623

IUPAC4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCc1cc(C)c2c(n1)C1CCC2C1
InChIInChI=1S/C12H15N/c1-7-5-8(2)13-12-10-4-3-9(6-10)11(7)12/h5,9-10H,3-4,6H2,1-2H3
InChIKeyFNZYLNFRIZLSHZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.06
Rot. Bonds

About 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 23246623) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID23246623
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCc1cc(C)c2c(n1)C1CCC2C1
InChIInChI=1S/C12H15N/c1-7-5-8(2)13-12-10-4-3-9(6-10)11(7)12/h5,9-10H,3-4,6H2,1-2H3
InChIKeyFNZYLNFRIZLSHZ-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 90076893
2-cyclopropyl-3,6-dimethylpyridine;ethane
CID 177212945
(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
CID 134939192
2-cyclopropyl-4-methoxy-3,6-dimethylpyridine;ethane
CID 177024398
5-fluoro-7-methyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene-10-carboxylic acid
CID 112731841
4-tert-butyl-6-phenyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 58513946
2-cyclopropyl-6-methyl-4-(trifluoromethyl)pyridine
CID 71573882
4-bromo-2-cyclopropyl-6-methylpyrimidine
CID 112554798
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
(2-cyclopropyl-6-methyl-4-pyridinyl)methanamine;hydrochloride
CID 138109557
1-(4-cyclopropyl-6-methylpyrimidin-2-yl)ethanamine
CID 63318658
4,6-dimethyl-3,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-2(10),4,6,8-tetraene
CID 114933796

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 23246623) is 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is Cc1cc(C)c2c(n1)C1CCC2C1.
What is the InChIKey of 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is FNZYLNFRIZLSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-7-5-8(2)13-12-10-4-3-9(6-10)11(7)12/h5,9-10H,3-4,6H2,1-2H3.
What are the key properties of 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 173.26 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 23246623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).