N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride

C23H43ClN2O3Si — CID 141259839

IUPACN'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride
SMILESC=CN(CCNCCC[Si](OC(C)C)(OC(C)C)OC(C)C)Cc1ccccc1.Cl
InChIInChI=1S/C23H42N2O3Si.ClH/c1-8-25(19-23-13-10-9-11-14-23)17-16-24-15-12-18-29(26-20(2)3,27-21(4)5)28-22(6)7;/h8-11,13-14,20-22,24H,1,12,15-19H2,2-7H3;1H
InChIKeyISHYPVOQXRYFRK-UHFFFAOYSA-N
MW459.15 g/mol
LogP5.25
Rot. Bonds16

About N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride

N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride (PubChem CID 141259839) has the molecular formula C23H43ClN2O3Si and a molecular weight of 459.15 g/mol. Its IUPAC name is N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride
PubChem CID141259839
Molecular FormulaC23H43ClN2O3Si
Molecular Weight459.15 g/mol
Exact Mass458.27
IUPAC NameN'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride
SMILESC=CN(CCNCCC[Si](OC(C)C)(OC(C)C)OC(C)C)Cc1ccccc1.Cl
InChIInChI=1S/C23H42N2O3Si.ClH/c1-8-25(19-23-13-10-9-11-14-23)17-16-24-15-12-18-29(26-20(2)3,27-21(4)5)28-22(6)7;/h8-11,13-14,20-22,24H,1,12,15-19H2,2-7H3;1H
InChIKeyISHYPVOQXRYFRK-UHFFFAOYSA-N
XLogP5.25
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.15
LogP ≤ 55.25
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'}

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Related Compounds

N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine
CID 70389657
3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol
CID 174815417
3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate
CID 154000557
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
CID 143178304
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride
CID 140986490
N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide
CID 11288047
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N'-[2-tri(propan-2-yloxy)silylethyl]ethane-1,2-diamine
CID 140707750
3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride
CID 141374135
1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine
CID 88666500
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride (CID 141259839) is N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride is C=CN(CCNCCC[Si](OC(C)C)(OC(C)C)OC(C)C)Cc1ccccc1.Cl.
What is the InChIKey of N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is ISHYPVOQXRYFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O3Si.ClH/c1-8-25(19-23-13-10-9-11-14-23)17-16-24-15-12-18-29(26-20(2)3,27-21(4)5)28-22(6)7;/h8-11,13-14,20-22,24H,1,12,15-19H2,2-7H3;1H.
What are the key properties of N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride?
N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 459.15 g/mol, XLogP of 5.25, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 141259839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).