1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine

C33H51NO6Si3 — CID 19902660

IUPAC1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
SMILESCCC(N(C(CC)[Si](OC)(OC)c1ccccc1)C(CC)[Si](OC)(OC)c1ccccc1)[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C33H51NO6Si3/c1-10-31(41(35-4,36-5)28-22-16-13-17-23-28)34(32(11-2)42(37-6,38-7)29-24-18-14-19-25-29)33(12-3)43(39-8,40-9)30-26-20-15-21-27-30/h13-27,31-33H,10-12H2,1-9H3
InChIKeyQJBCWPYHGOBITP-UHFFFAOYSA-N
MW642.03 g/mol
LogP4.17
Rot. Bonds18

About 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine

1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine (PubChem CID 19902660) has the molecular formula C33H51NO6Si3 and a molecular weight of 642.03 g/mol. Its IUPAC name is 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine.

Molecular Properties

Compound Name1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
PubChem CID19902660
Molecular FormulaC33H51NO6Si3
Molecular Weight642.03 g/mol
Exact Mass641.30
IUPAC Name1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
SMILESCCC(N(C(CC)[Si](OC)(OC)c1ccccc1)C(CC)[Si](OC)(OC)c1ccccc1)[Si](OC)(OC)c1ccccc1
InChIInChI=1S/C33H51NO6Si3/c1-10-31(41(35-4,36-5)28-22-16-13-17-23-28)34(32(11-2)42(37-6,38-7)29-24-18-14-19-25-29)33(12-3)43(39-8,40-9)30-26-20-15-21-27-30/h13-27,31-33H,10-12H2,1-9H3
InChIKeyQJBCWPYHGOBITP-UHFFFAOYSA-N
XLogP4.17
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.03
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine?
The IUPAC name of 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine (CID 19902660) is 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine.
What is the SMILES notation for 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine?
The canonical SMILES for 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine is CCC(N(C(CC)[Si](OC)(OC)c1ccccc1)C(CC)[Si](OC)(OC)c1ccccc1)[Si](OC)(OC)c1ccccc1.
What is the InChIKey of 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine?
The InChIKey is QJBCWPYHGOBITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51NO6Si3/c1-10-31(41(35-4,36-5)28-22-16-13-17-23-28)34(32(11-2)42(37-6,38-7)29-24-18-14-19-25-29)33(12-3)43(39-8,40-9)30-26-20-15-21-27-30/h13-27,31-33H,10-12H2,1-9H3.
What are the key properties of 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine?
1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine has a molecular weight of 642.03 g/mol, XLogP of 4.17, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine is sourced from PubChem (CID 19902660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).