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

C37H56N4Si2 — CID 20682166

IUPACN-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[Si](C)(C[Si](C)(NC(C)(C)C)C1=CC(N2CCCC2)c2ccccc21)C1=CC(N2CCCC2)c2ccccc21
InChIInChI=1S/C37H56N4Si2/c1-36(2,3)38-42(7,34-25-32(40-21-13-14-22-40)28-17-9-11-19-30(28)34)27-43(8,39-37(4,5)6)35-26-33(41-23-15-16-24-41)29-18-10-12-20-31(29)35/h9-12,17-20,25-26,32-33,38-39H,13-16,21-24,27H2,1-8H3
InChIKeyQSAPCSFPBYTDQT-UHFFFAOYSA-N
MW613.06 g/mol
LogP8.00
Rot. Bonds8

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

N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine (PubChem CID 20682166) has the molecular formula C37H56N4Si2 and a molecular weight of 613.06 g/mol. Its IUPAC name is N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine
PubChem CID20682166
Molecular FormulaC37H56N4Si2
Molecular Weight613.06 g/mol
Exact Mass612.40
IUPAC NameN-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[Si](C)(C[Si](C)(NC(C)(C)C)C1=CC(N2CCCC2)c2ccccc21)C1=CC(N2CCCC2)c2ccccc21
InChIInChI=1S/C37H56N4Si2/c1-36(2,3)38-42(7,34-25-32(40-21-13-14-22-40)28-17-9-11-19-30(28)34)27-43(8,39-37(4,5)6)35-26-33(41-23-15-16-24-41)29-18-10-12-20-31(29)35/h9-12,17-20,25-26,32-33,38-39H,13-16,21-24,27H2,1-8H3
InChIKeyQSAPCSFPBYTDQT-UHFFFAOYSA-N
XLogP8.00
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.06
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine
CID 20682158
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CID 101352124
tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))
CID 20682101
(3-tert-butyl-3H-inden-1-yl)-trimethylsilane
CID 101354985
trimethyl-[3-[2-(3-trimethylsilyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]silane
CID 18670031
trimethyl-[(3S)-3-[2-[(1S)-3-trimethylsilyl-1H-inden-1-yl]propan-2-yl]-3H-inden-1-yl]silane
CID 101175516
1-[3-[[amino(dimethyl)silyl]methyl]-3H-inden-1-yl]pyrrolidine
CID 67613366
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1-(1H-inden-1-yl)azepane
CID 151689000
N-[(3-but-3-enyl-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
CID 101138340
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CID 153475988
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Frequently Asked Questions

What is the IUPAC name of N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine (CID 20682166) is N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine is CC(C)(C)N[Si](C)(C[Si](C)(NC(C)(C)C)C1=CC(N2CCCC2)c2ccccc21)C1=CC(N2CCCC2)c2ccccc21.
What is the InChIKey of N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine?
The InChIKey is QSAPCSFPBYTDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56N4Si2/c1-36(2,3)38-42(7,34-25-32(40-21-13-14-22-40)28-17-9-11-19-30(28)34)27-43(8,39-37(4,5)6)35-26-33(41-23-15-16-24-41)29-18-10-12-20-31(29)35/h9-12,17-20,25-26,32-33,38-39H,13-16,21-24,27H2,1-8H3.
What are the key properties of N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine?
N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine has a molecular weight of 613.06 g/mol, XLogP of 8.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 20682166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).