10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

C24H32N4O — CID 10111139

IUPAC10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCC(CC)Nc1c2c(nc3c(-c4c(C)cc(OC)cc4C)c(C)nn13)CCC2
InChIInChI=1S/C24H32N4O/c1-7-17(8-2)25-23-19-10-9-11-20(19)26-24-22(16(5)27-28(23)24)21-14(3)12-18(29-6)13-15(21)4/h12-13,17,25H,7-11H2,1-6H3
InChIKeyYFNGKGYGTYBNSY-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.42
Rot. Bonds6

About 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 10111139) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound Name10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
PubChem CID10111139
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCC(CC)Nc1c2c(nc3c(-c4c(C)cc(OC)cc4C)c(C)nn13)CCC2
InChIInChI=1S/C24H32N4O/c1-7-17(8-2)25-23-19-10-9-11-20(19)26-24-22(16(5)27-28(23)24)21-14(3)12-18(29-6)13-15(21)4/h12-13,17,25H,7-11H2,1-6H3
InChIKeyYFNGKGYGTYBNSY-UHFFFAOYSA-N
XLogP5.42
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine 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 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The IUPAC name of 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (CID 10111139) is 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.
What is the SMILES notation for 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The canonical SMILES for 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is CCC(CC)Nc1c2c(nc3c(-c4c(C)cc(OC)cc4C)c(C)nn13)CCC2.
What is the InChIKey of 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is YFNGKGYGTYBNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-7-17(8-2)25-23-19-10-9-11-20(19)26-24-22(16(5)27-28(23)24)21-14(3)12-18(29-6)13-15(21)4/h12-13,17,25H,7-11H2,1-6H3.
What are the key properties of 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 392.55 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxy-2,6-dimethylphenyl)-11-methyl-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 10111139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).