N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine

C17H28N2O3Si — CID 21466633

IUPACN-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine
SMILESC=C/C(=N\CCNCCC[Si](OC)(OC)OC)c1ccccc1
InChIInChI=1S/C17H28N2O3Si/c1-5-17(16-10-7-6-8-11-16)19-14-13-18-12-9-15-23(20-2,21-3)22-4/h5-8,10-11,18H,1,9,12-15H2,2-4H3/b19-17+
InChIKeyCCZQLSUUZCWTSI-HTXNQAPBSA-N
MW336.51 g/mol
LogP2.52
Rot. Bonds12

About N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine

N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine (PubChem CID 21466633) has the molecular formula C17H28N2O3Si and a molecular weight of 336.51 g/mol. Its IUPAC name is N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine
PubChem CID21466633
Molecular FormulaC17H28N2O3Si
Molecular Weight336.51 g/mol
Exact Mass336.19
IUPAC NameN-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine
SMILESC=C/C(=N\CCNCCC[Si](OC)(OC)OC)c1ccccc1
InChIInChI=1S/C17H28N2O3Si/c1-5-17(16-10-7-6-8-11-16)19-14-13-18-12-9-15-23(20-2,21-3)22-4/h5-8,10-11,18H,1,9,12-15H2,2-4H3/b19-17+
InChIKeyCCZQLSUUZCWTSI-HTXNQAPBSA-N
XLogP2.52
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine?
The IUPAC name of N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine (CID 21466633) is N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine?
The canonical SMILES for N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine is C=C/C(=N\CCNCCC[Si](OC)(OC)OC)c1ccccc1.
What is the InChIKey of N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine?
The InChIKey is CCZQLSUUZCWTSI-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H28N2O3Si/c1-5-17(16-10-7-6-8-11-16)19-14-13-18-12-9-15-23(20-2,21-3)22-4/h5-8,10-11,18H,1,9,12-15H2,2-4H3/b19-17+.
What are the key properties of N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine?
N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine has a molecular weight of 336.51 g/mol, XLogP of 2.52, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylprop-2-enylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 21466633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).