tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+)

C30H50N3SiTi+ — CID 59964087

About tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+)

tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+) (PubChem CID 59964087) has the molecular formula C30H50N3SiTi+ and a molecular weight of 528.70 g/mol. Its IUPAC name is tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+).

Molecular Properties

• Compound Name: tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+)
• PubChem CID: 59964087
• Molecular Formula: C30H50N3SiTi+
• Molecular Weight: 528.70 g/mol
• Exact Mass: 528.32
• IUPAC Name: tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+)
• SMILES: CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.[CH2-]C.[CH2-]c1ccccc1N(C)C.[Ti+4]
• InChI: InChI=1S/C19H33N2Si.C9H12N.C2H5.Ti/c1-19(2,3)20-22(4,5)18-14-17(21-12-8-9-13-21)15-10-6-7-11-16(15)18;1-8-6-4-5-7-9(8)10(2)3;1-2;/h6-7,10-11,15-18H,8-9,12-14H2,1-5H3;4-7H,1H2,2-3H3;1H2,2H3;/q3*-1;+4
• InChIKey: ZJQZARCBMKSYKL-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 20.58 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.70
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+)?

The IUPAC name of tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+) (CID 59964087) is tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+).

What is the SMILES notation for tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+)?

The canonical SMILES for tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+) is CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.[CH2-]C.[CH2-]c1ccccc1N(C)C.[Ti+4].

What is the InChIKey of tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+)?

The InChIKey is ZJQZARCBMKSYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N2Si.C9H12N.C2H5.Ti/c1-19(2,3)20-22(4,5)18-14-17(21-12-8-9-13-21)15-10-6-7-11-16(15)18;1-8-6-4-5-7-9(8)10(2)3;1-2;/h6-7,10-11,15-18H,8-9,12-14H2,1-5H3;4-7H,1H2,2-3H3;1H2,2H3;/q3*-1;+4.

What are the key properties of tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+)?

tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+) has a molecular weight of 528.70 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 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;ethane;2-methanidyl-N,N-dimethylaniline;titanium(4+) is sourced from PubChem (CID 59964087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).