tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+)

C26H40N2SiTi — CID 20675185

IUPACtert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+)
SMILESCN(C1=CC([Si](C)(C)[N-]C(C)(C)C)=C2C=CC=CC12)c1ccccc1.[CH2-]C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C22H29N2Si.C2H5.2CH3.Ti/c1-22(2,3)23-25(5,6)21-16-20(18-14-10-11-15-19(18)21)24(4)17-12-8-7-9-13-17;1-2;;;/h7-16,18H,1-6H3;1H2,2H3;2*1H3;/q4*-1;+4
InChIKeyIOABNWDRKYZPMA-UHFFFAOYSA-N
MW456.57 g/mol
LogP7.71
Rot. Bonds4

About tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+)

tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+) (PubChem CID 20675185) has the molecular formula C26H40N2SiTi and a molecular weight of 456.57 g/mol. Its IUPAC name is tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+).

Molecular Properties

Compound Nametert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+)
PubChem CID20675185
Molecular FormulaC26H40N2SiTi
Molecular Weight456.57 g/mol
Exact Mass456.24
IUPAC Nametert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+)
SMILESCN(C1=CC([Si](C)(C)[N-]C(C)(C)C)=C2C=CC=CC12)c1ccccc1.[CH2-]C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C22H29N2Si.C2H5.2CH3.Ti/c1-22(2,3)23-25(5,6)21-16-20(18-14-10-11-15-19(18)21)24(4)17-12-8-7-9-13-17;1-2;;;/h7-16,18H,1-6H3;1H2,2H3;2*1H3;/q4*-1;+4
InChIKeyIOABNWDRKYZPMA-UHFFFAOYSA-N
XLogP7.71
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+) with MolForge

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Launch Full Analysis

Related Compounds

ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
[[(6aR)-6,6a,10a,10b-tetrahydro-5aH-indeno[2,1-b][1]benzothiol-6-yl]-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)
CID 162474226
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
CID 159776182
ethene;N-methyl-N-phenylaniline
CID 144541479
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
N-methyl-N-[phenyl(trimethylsilylmethyl)phosphanyl]aniline
CID 10902704
9-propan-2-yl-4aH-fluorene
CID 59892983
N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 143498699
tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)
CID 59038577
cyclohexa-1,3-diene;N-methyl-N-phenylaniline
CID 163291837
N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline
CID 102014497

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+)?
The IUPAC name of tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+) (CID 20675185) is tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+).
What is the SMILES notation for tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+)?
The canonical SMILES for tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+) is CN(C1=CC([Si](C)(C)[N-]C(C)(C)C)=C2C=CC=CC12)c1ccccc1.[CH2-]C.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+)?
The InChIKey is IOABNWDRKYZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N2Si.C2H5.2CH3.Ti/c1-22(2,3)23-25(5,6)21-16-20(18-14-10-11-15-19(18)21)24(4)17-12-8-7-9-13-17;1-2;;;/h7-16,18H,1-6H3;1H2,2H3;2*1H3;/q4*-1;+4.
What are the key properties of tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+)?
tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+) has a molecular weight of 456.57 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[dimethyl-[3-(N-methylanilino)-3aH-inden-1-yl]silyl]azanide;carbanide;ethane;titanium(4+) is sourced from PubChem (CID 20675185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).