N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine

C31H44N4Si2 — CID 20682158

IUPACN,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine
SMILESC[Si](C)(NCN[Si](C)(C)C1=CC(N2CCCC2)c2ccccc21)C1=CC(N2CCCC2)c2ccccc21
InChIInChI=1S/C31H44N4Si2/c1-36(2,30-21-28(34-17-9-10-18-34)24-13-5-7-15-26(24)30)32-23-33-37(3,4)31-22-29(35-19-11-12-20-35)25-14-6-8-16-27(25)31/h5-8,13-16,21-22,28-29,32-33H,9-12,17-20,23H2,1-4H3
InChIKeyIBOYXAHJTYZZPA-UHFFFAOYSA-N
MW528.89 g/mol
LogP6.08
Rot. Bonds8

About N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine

N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine (PubChem CID 20682158) has the molecular formula C31H44N4Si2 and a molecular weight of 528.89 g/mol. Its IUPAC name is N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine.

Molecular Properties

Compound NameN,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine
PubChem CID20682158
Molecular FormulaC31H44N4Si2
Molecular Weight528.89 g/mol
Exact Mass528.31
IUPAC NameN,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine
SMILESC[Si](C)(NCN[Si](C)(C)C1=CC(N2CCCC2)c2ccccc21)C1=CC(N2CCCC2)c2ccccc21
InChIInChI=1S/C31H44N4Si2/c1-36(2,30-21-28(34-17-9-10-18-34)24-13-5-7-15-26(24)30)32-23-33-37(3,4)31-22-29(35-19-11-12-20-35)25-14-6-8-16-27(25)31/h5-8,13-16,21-22,28-29,32-33H,9-12,17-20,23H2,1-4H3
InChIKeyIBOYXAHJTYZZPA-UHFFFAOYSA-N
XLogP6.08
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.89
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
1-[3-[[amino(dimethyl)silyl]methyl]-3H-inden-1-yl]pyrrolidine
CID 67613366
1-(1H-inden-1-yl)azepane
CID 151689000
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
[dimethyl-(3-trimethylsilyl-1H-inden-1-yl)silyl]-dimethyl-(3-trimethylsilyl-1H-inden-1-yl)silane
CID 100983120
1-[1-(9H-fluoren-9-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263215
N-[(3R)-1-(9H-fluoren-9-yl)piperidin-3-yl]methanesulfonamide
CID 52534632
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
(3-tert-butyl-3H-inden-1-yl)-trimethylsilane
CID 101354985
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 3724874

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine?
The IUPAC name of N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine (CID 20682158) is N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine.
What is the SMILES notation for N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine?
The canonical SMILES for N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine is C[Si](C)(NCN[Si](C)(C)C1=CC(N2CCCC2)c2ccccc21)C1=CC(N2CCCC2)c2ccccc21.
What is the InChIKey of N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine?
The InChIKey is IBOYXAHJTYZZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4Si2/c1-36(2,30-21-28(34-17-9-10-18-34)24-13-5-7-15-26(24)30)32-23-33-37(3,4)31-22-29(35-19-11-12-20-35)25-14-6-8-16-27(25)31/h5-8,13-16,21-22,28-29,32-33H,9-12,17-20,23H2,1-4H3.
What are the key properties of N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine?
N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine has a molecular weight of 528.89 g/mol, XLogP of 6.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine is sourced from PubChem (CID 20682158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).