N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine

C22H33NO3Si — CID 141324806

IUPACN,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine
SMILESCO[Si](CCCN(CCc1ccccc1)CCc1ccccc1)(OC)OC
InChIInChI=1S/C22H33NO3Si/c1-24-27(25-2,26-3)20-10-17-23(18-15-21-11-6-4-7-12-21)19-16-22-13-8-5-9-14-22/h4-9,11-14H,10,15-20H2,1-3H3
InChIKeyQOYUFEXLEMBXRM-UHFFFAOYSA-N
MW387.60 g/mol
LogP4.04
Rot. Bonds13

About N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine

N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine (PubChem CID 141324806) has the molecular formula C22H33NO3Si and a molecular weight of 387.60 g/mol. Its IUPAC name is N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine
PubChem CID141324806
Molecular FormulaC22H33NO3Si
Molecular Weight387.60 g/mol
Exact Mass387.22
IUPAC NameN,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine
SMILESCO[Si](CCCN(CCc1ccccc1)CCc1ccccc1)(OC)OC
InChIInChI=1S/C22H33NO3Si/c1-24-27(25-2,26-3)20-10-17-23(18-15-21-11-6-4-7-12-21)19-16-22-13-8-5-9-14-22/h4-9,11-14H,10,15-20H2,1-3H3
InChIKeyQOYUFEXLEMBXRM-UHFFFAOYSA-N
XLogP4.04
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.60
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy(12-phenyldodecyl)silane
CID 54325157
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
CID 159040096
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
[dimethoxy(3-phenylpropoxy)silyl]methanamine
CID 139835551
3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine
CID 171816947
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
tribenzyl(3-trimethoxysilylpropyl)azanium
CID 132606843

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine?
The IUPAC name of N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine (CID 141324806) is N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine?
The canonical SMILES for N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine is CO[Si](CCCN(CCc1ccccc1)CCc1ccccc1)(OC)OC.
What is the InChIKey of N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine?
The InChIKey is QOYUFEXLEMBXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3Si/c1-24-27(25-2,26-3)20-10-17-23(18-15-21-11-6-4-7-12-21)19-16-22-13-8-5-9-14-22/h4-9,11-14H,10,15-20H2,1-3H3.
What are the key properties of N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine?
N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine has a molecular weight of 387.60 g/mol, XLogP of 4.04, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 141324806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).