1-phenyl-N,N-bis(triethoxysilyl)methanamine

C19H37NO6Si2 — CID 100995082

IUPAC1-phenyl-N,N-bis(triethoxysilyl)methanamine
SMILESCCO[Si](OCC)(OCC)N(Cc1ccccc1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C19H37NO6Si2/c1-7-21-27(22-8-2,23-9-3)20(18-19-16-14-13-15-17-19)28(24-10-4,25-11-5)26-12-6/h13-17H,7-12,18H2,1-6H3
InChIKeyANIWRGHEGFPXES-UHFFFAOYSA-N
MW431.68 g/mol
LogP3.58
Rot. Bonds16

About 1-phenyl-N,N-bis(triethoxysilyl)methanamine

1-phenyl-N,N-bis(triethoxysilyl)methanamine (PubChem CID 100995082) has the molecular formula C19H37NO6Si2 and a molecular weight of 431.68 g/mol. Its IUPAC name is 1-phenyl-N,N-bis(triethoxysilyl)methanamine.

Molecular Properties

Compound Name1-phenyl-N,N-bis(triethoxysilyl)methanamine
PubChem CID100995082
Molecular FormulaC19H37NO6Si2
Molecular Weight431.68 g/mol
Exact Mass431.22
IUPAC Name1-phenyl-N,N-bis(triethoxysilyl)methanamine
SMILESCCO[Si](OCC)(OCC)N(Cc1ccccc1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C19H37NO6Si2/c1-7-21-27(22-8-2,23-9-3)20(18-19-16-14-13-15-17-19)28(24-10-4,25-11-5)26-12-6/h13-17H,7-12,18H2,1-6H3
InChIKeyANIWRGHEGFPXES-UHFFFAOYSA-N
XLogP3.58
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.68
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N,N-bis(trimethylsilyl)methanamine
CID 616728
N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716
[amino(diethoxy)silyl]methylbenzene
CID 54560418
benzyl triethyl silicate
CID 14245028
benzyl-ethoxy-diethylsilane
CID 13486124
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-ethoxy-1-phenyl-N-(trimethylsilylmethyl)methanamine
CID 140853865
N,N-dibenzyl-1,1-diethoxymethanamine
CID 71360875
3-triethoxysilylpropyl N,N-dibenzylcarbamodithioate
CID 54497623
benzyl(triethoxy)silane;propan-2-ol
CID 172724025
N-benzyl-2-methoxy-N-trimethylsilylethanamine
CID 68644763
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N,N-bis(triethoxysilyl)methanamine?
The IUPAC name of 1-phenyl-N,N-bis(triethoxysilyl)methanamine (CID 100995082) is 1-phenyl-N,N-bis(triethoxysilyl)methanamine.
What is the SMILES notation for 1-phenyl-N,N-bis(triethoxysilyl)methanamine?
The canonical SMILES for 1-phenyl-N,N-bis(triethoxysilyl)methanamine is CCO[Si](OCC)(OCC)N(Cc1ccccc1)[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-phenyl-N,N-bis(triethoxysilyl)methanamine?
The InChIKey is ANIWRGHEGFPXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO6Si2/c1-7-21-27(22-8-2,23-9-3)20(18-19-16-14-13-15-17-19)28(24-10-4,25-11-5)26-12-6/h13-17H,7-12,18H2,1-6H3.
What are the key properties of 1-phenyl-N,N-bis(triethoxysilyl)methanamine?
1-phenyl-N,N-bis(triethoxysilyl)methanamine has a molecular weight of 431.68 g/mol, XLogP of 3.58, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N,N-bis(triethoxysilyl)methanamine is sourced from PubChem (CID 100995082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).