N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine

C24H46N2O3Si — CID 19748358

IUPACN-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine
SMILESCCO[Si](CCCCCCCCCCNCc1cccc(CN)c1)(OCC)OCC
InChIInChI=1S/C24H46N2O3Si/c1-4-27-30(28-5-2,29-6-3)19-14-12-10-8-7-9-11-13-18-26-22-24-17-15-16-23(20-24)21-25/h15-17,20,26H,4-14,18-19,21-22,25H2,1-3H3
InChIKeyVTEWQBKXQMHTTJ-UHFFFAOYSA-N
MW438.73 g/mol
LogP5.40
Rot. Bonds20

About N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine

N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine (PubChem CID 19748358) has the molecular formula C24H46N2O3Si and a molecular weight of 438.73 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine
PubChem CID19748358
Molecular FormulaC24H46N2O3Si
Molecular Weight438.73 g/mol
Exact Mass438.33
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine
SMILESCCO[Si](CCCCCCCCCCNCc1cccc(CN)c1)(OCC)OCC
InChIInChI=1S/C24H46N2O3Si/c1-4-27-30(28-5-2,29-6-3)19-14-12-10-8-7-9-11-13-18-26-22-24-17-15-16-23(20-24)21-25/h15-17,20,26H,4-14,18-19,21-22,25H2,1-3H3
InChIKeyVTEWQBKXQMHTTJ-UHFFFAOYSA-N
XLogP5.40
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.73
LogP ≤ 55.40
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'}

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Related Compounds

N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine
CID 54124529
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N'-[(3-ethoxyphenyl)methyl]butane-1,4-diamine
CID 60895275
triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989
N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
CID 115213067
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
N-[[3-(aminomethyl)phenyl]methyl]but-3-en-1-amine
CID 145380896
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine (CID 19748358) is N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine is CCO[Si](CCCCCCCCCCNCc1cccc(CN)c1)(OCC)OCC.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine?
The InChIKey is VTEWQBKXQMHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O3Si/c1-4-27-30(28-5-2,29-6-3)19-14-12-10-8-7-9-11-13-18-26-22-24-17-15-16-23(20-24)21-25/h15-17,20,26H,4-14,18-19,21-22,25H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine?
N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine has a molecular weight of 438.73 g/mol, XLogP of 5.40, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-10-triethoxysilyldecan-1-amine is sourced from PubChem (CID 19748358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).