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

C89H146N9Sc3Si2 — CID 162279520

About tert-butyl-[dimethyl-[(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) (PubChem CID 162279520) has the molecular formula C89H146N9Sc3Si2 and a molecular weight of 1533.25 g/mol. Its IUPAC name is tert-butyl-[dimethyl-[(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))
• PubChem CID: 162279520
• Molecular Formula: C89H146N9Sc3Si2
• Molecular Weight: 1533.25 g/mol
• Exact Mass: 1531.99
• IUPAC Name: tert-butyl-[dimethyl-[(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))
• SMILES: CC(C)(C)[N-]CCC1CC(N2CCCC2)C2C=CC=CC12.CC(C)(C)[N-]C[Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)(C)[N-][Si](C)(C)CC1CC(N2CCCC2)C2C=CC=CC12.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH3-].[CH3-].[CH3-].[Sc+3].[Sc+3].[Sc+3]
• InChI: InChI=1S/2C20H35N2Si.C19H31N2.3C9H12N.3CH3.3Sc/c1-20(2,3)21-23(4,5)15-16-14-19(22-12-8-9-13-22)18-11-7-6-10-17(16)18;1-20(2,3)21-15-23(4,5)19-14-18(22-12-8-9-13-22)16-10-6-7-11-17(16)19;1-19(2,3)20-11-10-15-14-18(21-12-6-7-13-21)17-9-5-4-8-16(15)17;3*1-8-6-4-5-7-9(8)10(2)3;;;;;;/h2*6-7,10-11,16-19H,8-9,12-15H2,1-5H3;4-5,8-9,15-18H,6-7,10-14H2,1-3H3;3*4-7H,1H2,2-3H3;3*1H3;;;/q9*-1;3*+3
• InChIKey: LUFXEHPJNLSPTN-UHFFFAOYSA-N
• XLogP: 21.75
• TPSA: 61.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1533.25
LogP ≤ 5	21.75
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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) (CID 162279520) is tert-butyl-[dimethyl-[(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) is CC(C)(C)[N-]CCC1CC(N2CCCC2)C2C=CC=CC12.CC(C)(C)[N-]C[Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)(C)[N-][Si](C)(C)CC1CC(N2CCCC2)C2C=CC=CC12.[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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+))?

The InChIKey is LUFXEHPJNLSPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H35N2Si.C19H31N2.3C9H12N.3CH3.3Sc/c1-20(2,3)21-23(4,5)15-16-14-19(22-12-8-9-13-22)18-11-7-6-10-17(16)18;1-20(2,3)21-15-23(4,5)19-14-18(22-12-8-9-13-22)16-10-6-7-11-17(16)19;1-19(2,3)20-11-10-15-14-18(21-12-6-7-13-21)17-9-5-4-8-16(15)17;3*1-8-6-4-5-7-9(8)10(2)3;;;;;;/h2*6-7,10-11,16-19H,8-9,12-15H2,1-5H3;4-5,8-9,15-18H,6-7,10-14H2,1-3H3;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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) has a molecular weight of 1533.25 g/mol, XLogP of 21.75, 15 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)methyl]silyl]azanide;tert-butyl-[[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]methyl]azanide;tert-butyl-[2-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]azanide;carbanide;tris(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+)) is sourced from PubChem (CID 162279520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).