N'-phenyl-N-(trimethoxysilylmethyl)methanediamine

C11H20N2O3Si — CID 175370064

IUPACN'-phenyl-N-(trimethoxysilylmethyl)methanediamine
SMILESCO[Si](CNCNc1ccccc1)(OC)OC
InChIInChI=1S/C11H20N2O3Si/c1-14-17(15-2,16-3)10-12-9-13-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyHAYWAPNVHLDFHO-UHFFFAOYSA-N
MW256.38 g/mol
LogP1.06
Rot. Bonds8

About N'-phenyl-N-(trimethoxysilylmethyl)methanediamine

N'-phenyl-N-(trimethoxysilylmethyl)methanediamine (PubChem CID 175370064) has the molecular formula C11H20N2O3Si and a molecular weight of 256.38 g/mol. Its IUPAC name is N'-phenyl-N-(trimethoxysilylmethyl)methanediamine.

Molecular Properties

Compound NameN'-phenyl-N-(trimethoxysilylmethyl)methanediamine
PubChem CID175370064
Molecular FormulaC11H20N2O3Si
Molecular Weight256.38 g/mol
Exact Mass256.12
IUPAC NameN'-phenyl-N-(trimethoxysilylmethyl)methanediamine
SMILESCO[Si](CNCNc1ccccc1)(OC)OC
InChIInChI=1S/C11H20N2O3Si/c1-14-17(15-2,16-3)10-12-9-13-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyHAYWAPNVHLDFHO-UHFFFAOYSA-N
XLogP1.06
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[aminomethoxy(dimethoxy)silyl]methyl]aniline
CID 175419637
N-[[dimethoxy(methyl)silyl]oxymethyl]aniline;N-(trimethoxysilylmethyl)aniline
CID 159099348
CID 165388786
CID 165388786
N-(3-methyl-4-trimethoxysilylbutyl)aniline
CID 21024234
N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline
CID 70587297
N-(trimethylsilylmethyl)aniline
CID 15743444
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793
N-benzyl-N'-phenylmethanediamine
CID 151589453
N-(1-trimethoxysilylpropan-2-yl)aniline
CID 22495234
silane;N-(1-trimethoxysilylpropan-2-yl)aniline
CID 173063334
N,N'-diphenylmethanediamine;ethane-1,2-diol
CID 160711297
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N-(trimethoxysilylmethyl)methanediamine?
The IUPAC name of N'-phenyl-N-(trimethoxysilylmethyl)methanediamine (CID 175370064) is N'-phenyl-N-(trimethoxysilylmethyl)methanediamine.
What is the SMILES notation for N'-phenyl-N-(trimethoxysilylmethyl)methanediamine?
The canonical SMILES for N'-phenyl-N-(trimethoxysilylmethyl)methanediamine is CO[Si](CNCNc1ccccc1)(OC)OC.
What is the InChIKey of N'-phenyl-N-(trimethoxysilylmethyl)methanediamine?
The InChIKey is HAYWAPNVHLDFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3Si/c1-14-17(15-2,16-3)10-12-9-13-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3.
What are the key properties of N'-phenyl-N-(trimethoxysilylmethyl)methanediamine?
N'-phenyl-N-(trimethoxysilylmethyl)methanediamine has a molecular weight of 256.38 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N-(trimethoxysilylmethyl)methanediamine is sourced from PubChem (CID 175370064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).