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

C17H30N2O3Si — CID 70188809

IUPACN'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESC=CC(NCCNC(CC)[Si](OC)(OC)OC)c1ccccc1
InChIInChI=1S/C17H30N2O3Si/c1-6-16(15-11-9-8-10-12-15)18-13-14-19-17(7-2)23(20-3,21-4)22-5/h6,8-12,16-19H,1,7,13-14H2,2-5H3
InChIKeyDGMDZUJBBFYPKG-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.29
Rot. Bonds12

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

N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 70188809) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine
PubChem CID70188809
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESC=CC(NCCNC(CC)[Si](OC)(OC)OC)c1ccccc1
InChIInChI=1S/C17H30N2O3Si/c1-6-16(15-11-9-8-10-12-15)18-13-14-19-17(7-2)23(20-3,21-4)22-5/h6,8-12,16-19H,1,7,13-14H2,2-5H3
InChIKeyDGMDZUJBBFYPKG-UHFFFAOYSA-N
XLogP2.29
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.29
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine (CID 70188809) is N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine is C=CC(NCCNC(CC)[Si](OC)(OC)OC)c1ccccc1.
What is the InChIKey of N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is DGMDZUJBBFYPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si/c1-6-16(15-11-9-8-10-12-15)18-13-14-19-17(7-2)23(20-3,21-4)22-5/h6,8-12,16-19H,1,7,13-14H2,2-5H3.
What are the key properties of N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 338.52 g/mol, XLogP of 2.29, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 70188809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).