N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine

C39H62N2Si2 — CID 142652299

IUPACN-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine
SMILESCCCCC(CCCCC1=CC([Si](C)(C)NC(C)(C)C)c2ccccc21)C1=CC([Si](C)(C)NC(C)(C)C)c2ccccc21
InChIInChI=1S/C39H62N2Si2/c1-12-13-20-29(35-28-37(34-26-19-17-24-32(34)35)43(10,11)41-39(5,6)7)21-14-15-22-30-27-36(33-25-18-16-23-31(30)33)42(8,9)40-38(2,3)4/h16-19,23-29,36-37,40-41H,12-15,20-22H2,1-11H3
InChIKeyIJVVHSJKICMURR-UHFFFAOYSA-N
MW615.11 g/mol
LogP10.98
Rot. Bonds13

About N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine

N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine (PubChem CID 142652299) has the molecular formula C39H62N2Si2 and a molecular weight of 615.11 g/mol. Its IUPAC name is N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine
PubChem CID142652299
Molecular FormulaC39H62N2Si2
Molecular Weight615.11 g/mol
Exact Mass614.45
IUPAC NameN-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine
SMILESCCCCC(CCCCC1=CC([Si](C)(C)NC(C)(C)C)c2ccccc21)C1=CC([Si](C)(C)NC(C)(C)C)c2ccccc21
InChIInChI=1S/C39H62N2Si2/c1-12-13-20-29(35-28-37(34-26-19-17-24-32(34)35)43(10,11)41-39(5,6)7)21-14-15-22-30-27-36(33-25-18-16-23-31(30)33)42(8,9)40-38(2,3)4/h16-19,23-29,36-37,40-41H,12-15,20-22H2,1-11H3
InChIKeyIJVVHSJKICMURR-UHFFFAOYSA-N
XLogP10.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.11
LogP ≤ 510.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine (CID 142652299) is N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine is CCCCC(CCCCC1=CC([Si](C)(C)NC(C)(C)C)c2ccccc21)C1=CC([Si](C)(C)NC(C)(C)C)c2ccccc21.
What is the InChIKey of N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
The InChIKey is IJVVHSJKICMURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H62N2Si2/c1-12-13-20-29(35-28-37(34-26-19-17-24-32(34)35)43(10,11)41-39(5,6)7)21-14-15-22-30-27-36(33-25-18-16-23-31(30)33)42(8,9)40-38(2,3)4/h16-19,23-29,36-37,40-41H,12-15,20-22H2,1-11H3.
What are the key properties of N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine has a molecular weight of 615.11 g/mol, XLogP of 10.98, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[3-[(tert-butylamino)-dimethylsilyl]-3H-inden-1-yl]nonyl]-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 142652299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).