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

C17H30N2O3Si — CID 88666500

IUPAC1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine
SMILESC=CC(NC(C)NCCC[Si](OC)(OC)OC)c1ccccc1
InChIInChI=1S/C17H30N2O3Si/c1-6-17(16-11-8-7-9-12-16)19-15(2)18-13-10-14-23(20-3,21-4)22-5/h6-9,11-12,15,17-19H,1,10,13-14H2,2-5H3
InChIKeyXOYCNQRVBJKANY-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.71
Rot. Bonds12

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

1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine (PubChem CID 88666500) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine
PubChem CID88666500
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Name1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine
SMILESC=CC(NC(C)NCCC[Si](OC)(OC)OC)c1ccccc1
InChIInChI=1S/C17H30N2O3Si/c1-6-17(16-11-8-7-9-12-16)19-15(2)18-13-10-14-23(20-3,21-4)22-5/h6-9,11-12,15,17-19H,1,10,13-14H2,2-5H3
InChIKeyXOYCNQRVBJKANY-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(1-phenylprop-2-enyl)-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine;3-triethoxysilylpropylurea
CID 162246548
N-[(1S)-1-phenylprop-2-enyl]hexan-1-amine
CID 11830897
N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine
CID 70188809
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
CID 19877439
N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane
CID 173296479
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine
CID 68631769
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride
CID 141374135
N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine
CID 58691176
CID 165388786
CID 165388786

Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine (CID 88666500) is 1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine is C=CC(NC(C)NCCC[Si](OC)(OC)OC)c1ccccc1.
What is the InChIKey of 1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine?
The InChIKey is XOYCNQRVBJKANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si/c1-6-17(16-11-8-7-9-12-16)19-15(2)18-13-10-14-23(20-3,21-4)22-5/h6-9,11-12,15,17-19H,1,10,13-14H2,2-5H3.
What are the key properties of 1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine?
1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine has a molecular weight of 338.52 g/mol, XLogP of 2.71, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine is sourced from PubChem (CID 88666500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).