6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione

C23H32N4O2 — CID 178066213

IUPAC6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione
SMILESCC12CN3CC(C)(CN(C1)C(=O)CN(Cc1ccc4c(c1)CC(N)C4)CC3=O)C2
InChIInChI=1S/C23H32N4O2/c1-22-11-23(2)14-26(12-22)20(28)9-25(10-21(29)27(13-22)15-23)8-16-3-4-17-6-19(24)7-18(17)5-16/h3-5,19H,6-15,24H2,1-2H3
InChIKeyLXVRMKZQNZRREL-UHFFFAOYSA-N
MW396.54 g/mol
LogP1.02
Rot. Bonds2

About 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione

6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione (PubChem CID 178066213) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione.

Molecular Properties

Compound Name6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione
PubChem CID178066213
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione
SMILESCC12CN3CC(C)(CN(C1)C(=O)CN(Cc1ccc4c(c1)CC(N)C4)CC3=O)C2
InChIInChI=1S/C23H32N4O2/c1-22-11-23(2)14-26(12-22)20(28)9-25(10-21(29)27(13-22)15-23)8-16-3-4-17-6-19(24)7-18(17)5-16/h3-5,19H,6-15,24H2,1-2H3
InChIKeyLXVRMKZQNZRREL-UHFFFAOYSA-N
XLogP1.02
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione 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 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione?
The IUPAC name of 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione (CID 178066213) is 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione.
What is the SMILES notation for 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione?
The canonical SMILES for 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione is CC12CN3CC(C)(CN(C1)C(=O)CN(Cc1ccc4c(c1)CC(N)C4)CC3=O)C2.
What is the InChIKey of 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione?
The InChIKey is LXVRMKZQNZRREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-22-11-23(2)14-26(12-22)20(28)9-25(10-21(29)27(13-22)15-23)8-16-3-4-17-6-19(24)7-18(17)5-16/h3-5,19H,6-15,24H2,1-2H3.
What are the key properties of 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione?
6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione has a molecular weight of 396.54 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2,3-dihydro-1H-inden-5-yl)methyl]-1,11-dimethyl-3,6,9-triazatricyclo[7.3.1.13,11]tetradecane-4,8-dione is sourced from PubChem (CID 178066213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).