10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene

C19H21N — CID 162787690

IUPAC10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
SMILESCc1ccc(-c2ccc3c(n2)CC2CC3C2(C)C)cc1
InChIInChI=1S/C19H21N/c1-12-4-6-13(7-5-12)17-9-8-15-16-10-14(19(16,2)3)11-18(15)20-17/h4-9,14,16H,10-11H2,1-3H3
InChIKeyHFRDYUZQEMASOH-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.74
Rot. Bonds1

About 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene

10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene (PubChem CID 162787690) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
PubChem CID162787690
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
SMILESCc1ccc(-c2ccc3c(n2)CC2CC3C2(C)C)cc1
InChIInChI=1S/C19H21N/c1-12-4-6-13(7-5-12)17-9-8-15-16-10-14(19(16,2)3)11-18(15)20-17/h4-9,14,16H,10-11H2,1-3H3
InChIKeyHFRDYUZQEMASOH-UHFFFAOYSA-N
XLogP4.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene (CID 162787690) is 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene is Cc1ccc(-c2ccc3c(n2)CC2CC3C2(C)C)cc1.
What is the InChIKey of 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is HFRDYUZQEMASOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-12-4-6-13(7-5-12)17-9-8-15-16-10-14(19(16,2)3)11-18(15)20-17/h4-9,14,16H,10-11H2,1-3H3.
What are the key properties of 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 263.38 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 162787690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).