3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone

C23H40N4O2Si2 — CID 67071859

IUPAC3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone
SMILESC[Si](C)(CCCN)O[Si](C)(C)CCCN.Nc1ccc(C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C13H12N2O.C10H28N2OSi2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h1-8H,14-15H2;5-12H2,1-4H3
InChIKeyFEBXQBNVTSZTRE-UHFFFAOYSA-N
MW460.77 g/mol
LogP4.19
Rot. Bonds10

About 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone

3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone (PubChem CID 67071859) has the molecular formula C23H40N4O2Si2 and a molecular weight of 460.77 g/mol. Its IUPAC name is 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone.

Molecular Properties

Compound Name3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone
PubChem CID67071859
Molecular FormulaC23H40N4O2Si2
Molecular Weight460.77 g/mol
Exact Mass460.27
IUPAC Name3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone
SMILESC[Si](C)(CCCN)O[Si](C)(C)CCCN.Nc1ccc(C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C13H12N2O.C10H28N2OSi2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h1-8H,14-15H2;5-12H2,1-4H3
InChIKeyFEBXQBNVTSZTRE-UHFFFAOYSA-N
XLogP4.19
TPSA130.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.77
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone?
The IUPAC name of 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone (CID 67071859) is 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone.
What is the SMILES notation for 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone?
The canonical SMILES for 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone is C[Si](C)(CCCN)O[Si](C)(C)CCCN.Nc1ccc(C(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone?
The InChIKey is FEBXQBNVTSZTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.C10H28N2OSi2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h1-8H,14-15H2;5-12H2,1-4H3.
What are the key properties of 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone?
3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone has a molecular weight of 460.77 g/mol, XLogP of 4.19, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone is sourced from PubChem (CID 67071859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).