N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine

C20H36N2O3Si — CID 67479240

IUPACN'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCO[Si](CCCN(CC=Cc1ccccc1)CCN)(OCC)OCC
InChIInChI=1S/C20H36N2O3Si/c1-4-23-26(24-5-2,25-6-3)19-11-17-22(18-15-21)16-10-14-20-12-8-7-9-13-20/h7-10,12-14H,4-6,11,15-19,21H2,1-3H3
InChIKeyCVLWSQYXHSLGJA-UHFFFAOYSA-N
MW380.61 g/mol
LogP3.40
Rot. Bonds15

About N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine

N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 67479240) has the molecular formula C20H36N2O3Si and a molecular weight of 380.61 g/mol. Its IUPAC name is N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
PubChem CID67479240
Molecular FormulaC20H36N2O3Si
Molecular Weight380.61 g/mol
Exact Mass380.25
IUPAC NameN'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCO[Si](CCCN(CC=Cc1ccccc1)CCN)(OCC)OCC
InChIInChI=1S/C20H36N2O3Si/c1-4-23-26(24-5-2,25-6-3)19-11-17-22(18-15-21)16-10-14-20-12-8-7-9-13-20/h7-10,12-14H,4-6,11,15-19,21H2,1-3H3
InChIKeyCVLWSQYXHSLGJA-UHFFFAOYSA-N
XLogP3.40
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 57094572
trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane
CID 175429472
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
CID 122547632
5-ethoxypent-1-enylbenzene
CID 54285670
3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 3462468
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate
CID 76931444
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine (CID 67479240) is N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine is CCO[Si](CCCN(CC=Cc1ccccc1)CCN)(OCC)OCC.
What is the InChIKey of N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is CVLWSQYXHSLGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3Si/c1-4-23-26(24-5-2,25-6-3)19-11-17-22(18-15-21)16-10-14-20-12-8-7-9-13-20/h7-10,12-14H,4-6,11,15-19,21H2,1-3H3.
What are the key properties of N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 380.61 g/mol, XLogP of 3.40, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 67479240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).