tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))

C88H144N9Sc3Si3 — CID 162279547

About tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))

tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) (PubChem CID 162279547) has the molecular formula C88H144N9Sc3Si3 and a molecular weight of 1547.31 g/mol. Its IUPAC name is tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)).

Molecular Properties

• Compound Name: tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))
• PubChem CID: 162279547
• Molecular Formula: C88H144N9Sc3Si3
• Molecular Weight: 1547.31 g/mol
• Exact Mass: 1545.95
• IUPAC Name: tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))
• SMILES: CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.C[Si](C)([N-]C1CCCCC1)C1CC(N2CCCC2)C2C=CC=CC21.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH3-].[CH3-].[CH3-].[Sc+3].[Sc+3].[Sc+3]
• InChI: InChI=1S/C21H35N2Si.C19H33N2Si.C18H31N2Si.3C9H12N.3CH3.3Sc/c1-24(2,22-17-10-4-3-5-11-17)21-16-20(23-14-8-9-15-23)18-12-6-7-13-19(18)21;1-19(2,3)20-22(4,5)18-14-17(21-12-8-9-13-21)15-10-6-7-11-16(15)18;1-14(2)19-21(3,4)18-13-17(20-11-7-8-12-20)15-9-5-6-10-16(15)18;3*1-8-6-4-5-7-9(8)10(2)3;;;;;;/h6-7,12-13,17-21H,3-5,8-11,14-16H2,1-2H3;6-7,10-11,15-18H,8-9,12-14H2,1-5H3;5-6,9-10,14-18H,7-8,11-13H2,1-4H3;3*4-7H,1H2,2-3H3;3*1H3;;;/q9*-1;3*+3
• InChIKey: HNNYDYJPXRTRDR-UHFFFAOYSA-N
• XLogP: 22.17
• TPSA: 61.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1547.31
LogP ≤ 5	22.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))?

The IUPAC name of tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) (CID 162279547) is tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)).

What is the SMILES notation for tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))?

The canonical SMILES for tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) is CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.C[Si](C)([N-]C1CCCCC1)C1CC(N2CCCC2)C2C=CC=CC21.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH3-].[CH3-].[CH3-].[Sc+3].[Sc+3].[Sc+3].

What is the InChIKey of tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))?

The InChIKey is HNNYDYJPXRTRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N2Si.C19H33N2Si.C18H31N2Si.3C9H12N.3CH3.3Sc/c1-24(2,22-17-10-4-3-5-11-17)21-16-20(23-14-8-9-15-23)18-12-6-7-13-19(18)21;1-19(2,3)20-22(4,5)18-14-17(21-12-8-9-13-21)15-10-6-7-11-16(15)18;1-14(2)19-21(3,4)18-13-17(20-11-7-8-12-20)15-9-5-6-10-16(15)18;3*1-8-6-4-5-7-9(8)10(2)3;;;;;;/h6-7,12-13,17-21H,3-5,8-11,14-16H2,1-2H3;6-7,10-11,15-18H,8-9,12-14H2,1-5H3;5-6,9-10,14-18H,7-8,11-13H2,1-4H3;3*4-7H,1H2,2-3H3;3*1H3;;;/q9*-1;3*+3.

What are the key properties of tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))?

tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) has a molecular weight of 1547.31 g/mol, XLogP of 22.17, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;cyclohexyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]-propan-2-ylazanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) is sourced from PubChem (CID 162279547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).