10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene

C17H18N2 — CID 141414594

IUPAC10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene
SMILESCC1(C)C2Cc3c(-c4ccccc4)ncnc3C1C2
InChIInChI=1S/C17H18N2/c1-17(2)12-8-13-15(11-6-4-3-5-7-11)18-10-19-16(13)14(17)9-12/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyMIBXHDBBLDOQCX-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.83
Rot. Bonds1

About 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene

10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene (PubChem CID 141414594) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene
PubChem CID141414594
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene
SMILESCC1(C)C2Cc3c(-c4ccccc4)ncnc3C1C2
InChIInChI=1S/C17H18N2/c1-17(2)12-8-13-15(11-6-4-3-5-7-11)18-10-19-16(13)14(17)9-12/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyMIBXHDBBLDOQCX-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene (CID 141414594) is 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene is CC1(C)C2Cc3c(-c4ccccc4)ncnc3C1C2.
What is the InChIKey of 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene?
The InChIKey is MIBXHDBBLDOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-17(2)12-8-13-15(11-6-4-3-5-7-11)18-10-19-16(13)14(17)9-12/h3-7,10,12,14H,8-9H2,1-2H3.
What are the key properties of 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene?
10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene has a molecular weight of 250.35 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 141414594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).