N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine

C31H46N2Si2 — CID 101352124

IUPACN-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[Si](C)(C)C1C=C(CC2=CC([Si](C)(C)NC(C)(C)C)c3ccccc32)c2ccccc21
InChIInChI=1S/C31H46N2Si2/c1-30(2,3)32-34(7,8)28-20-22(24-15-11-13-17-26(24)28)19-23-21-29(27-18-14-12-16-25(23)27)35(9,10)33-31(4,5)6/h11-18,20-21,28-29,32-33H,19H2,1-10H3
InChIKeyNPQXRISOZWVTHP-UHFFFAOYSA-N
MW502.90 g/mol
LogP8.00
Rot. Bonds6

About N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine

N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine (PubChem CID 101352124) has the molecular formula C31H46N2Si2 and a molecular weight of 502.90 g/mol. Its IUPAC name is N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine
PubChem CID101352124
Molecular FormulaC31H46N2Si2
Molecular Weight502.90 g/mol
Exact Mass502.32
IUPAC NameN-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[Si](C)(C)C1C=C(CC2=CC([Si](C)(C)NC(C)(C)C)c3ccccc32)c2ccccc21
InChIInChI=1S/C31H46N2Si2/c1-30(2,3)32-34(7,8)28-20-22(24-15-11-13-17-26(24)28)19-23-21-29(27-18-14-12-16-25(23)27)35(9,10)33-31(4,5)6/h11-18,20-21,28-29,32-33H,19H2,1-10H3
InChIKeyNPQXRISOZWVTHP-UHFFFAOYSA-N
XLogP8.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.90
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine (CID 101352124) is N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine is CC(C)(C)N[Si](C)(C)C1C=C(CC2=CC([Si](C)(C)NC(C)(C)C)c3ccccc32)c2ccccc21.
What is the InChIKey of N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
The InChIKey is NPQXRISOZWVTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2Si2/c1-30(2,3)32-34(7,8)28-20-22(24-15-11-13-17-26(24)28)19-23-21-29(27-18-14-12-16-25(23)27)35(9,10)33-31(4,5)6/h11-18,20-21,28-29,32-33H,19H2,1-10H3.
What are the key properties of N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine has a molecular weight of 502.90 g/mol, XLogP of 8.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]methyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 101352124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).