(10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

C19H22N2 — CID 137454483

IUPAC(10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESCc1ccccc1N1[C@@H](C)N2CCC1(C)c1ccccc12
InChIInChI=1S/C19H22N2/c1-14-8-4-6-10-17(14)21-15(2)20-13-12-19(21,3)16-9-5-7-11-18(16)20/h4-11,15H,12-13H2,1-3H3/t15-,19?/m0/s1
InChIKeyKODRRRGMYVWPNC-FUKCDUGKSA-N
MW278.40 g/mol
LogP4.29
Rot. Bonds1

About (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

(10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (PubChem CID 137454483) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
PubChem CID137454483
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESCc1ccccc1N1[C@@H](C)N2CCC1(C)c1ccccc12
InChIInChI=1S/C19H22N2/c1-14-8-4-6-10-17(14)21-15(2)20-13-12-19(21,3)16-9-5-7-11-18(16)20/h4-11,15H,12-13H2,1-3H3/t15-,19?/m0/s1
InChIKeyKODRRRGMYVWPNC-FUKCDUGKSA-N
XLogP4.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The IUPAC name of (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (CID 137454483) is (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is Cc1ccccc1N1[C@@H](C)N2CCC1(C)c1ccccc12.
What is the InChIKey of (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The InChIKey is KODRRRGMYVWPNC-FUKCDUGKSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-8-4-6-10-17(14)21-15(2)20-13-12-19(21,3)16-9-5-7-11-18(16)20/h4-11,15H,12-13H2,1-3H3/t15-,19?/m0/s1.
What are the key properties of (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
(10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene has a molecular weight of 278.40 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-8,10-dimethyl-9-(2-methylphenyl)-1,9-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 137454483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).