N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate

C18H42N2O8Si2 — CID 87214353

IUPACN'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)[Si](OC)(OC)OC.CO[Si](CCCNCCN)(OC)OC
InChIInChI=1S/C10H20O5Si.C8H22N2O3Si/c1-7-9(15-10(11)8(2)3)16(12-4,13-5)14-6;1-11-14(12-2,13-3)8-4-6-10-7-5-9/h9H,2,7H2,1,3-6H3;10H,4-9H2,1-3H3
InChIKeyANCVJQSLSQEXTR-UHFFFAOYSA-N
MW470.71 g/mol
LogP1.10
Rot. Bonds16

About N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate

N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 87214353) has the molecular formula C18H42N2O8Si2 and a molecular weight of 470.71 g/mol. Its IUPAC name is N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound NameN'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID87214353
Molecular FormulaC18H42N2O8Si2
Molecular Weight470.71 g/mol
Exact Mass470.25
IUPAC NameN'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)[Si](OC)(OC)OC.CO[Si](CCCNCCN)(OC)OC
InChIInChI=1S/C10H20O5Si.C8H22N2O3Si/c1-7-9(15-10(11)8(2)3)16(12-4,13-5)14-6;1-11-14(12-2,13-3)8-4-6-10-7-5-9/h9H,2,7H2,1,3-6H3;10H,4-9H2,1-3H3
InChIKeyANCVJQSLSQEXTR-UHFFFAOYSA-N
XLogP1.10
TPSA119.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.71
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
3-(1-trimethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 178065239
1-trimethoxysilylpropyl 2,3-dimethylbut-2-enoate
CID 175016513
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
1-[methyl-bis(methylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 173234649
[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
CID 22457230
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
[butyl(dimethoxy)silyl] 2-methylprop-2-enoate
CID 87481263
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505

Frequently Asked Questions

What is the IUPAC name of N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 87214353) is N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)[Si](OC)(OC)OC.CO[Si](CCCNCCN)(OC)OC.
What is the InChIKey of N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is ANCVJQSLSQEXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C8H22N2O3Si/c1-7-9(15-10(11)8(2)3)16(12-4,13-5)14-6;1-11-14(12-2,13-3)8-4-6-10-7-5-9/h9H,2,7H2,1,3-6H3;10H,4-9H2,1-3H3.
What are the key properties of N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate?
N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 470.71 g/mol, XLogP of 1.10, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 87214353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).