1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine

C17H45N3O5Si2 — CID 173380907

IUPAC1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCC(N)C[SiH](OC)OC.CCO[Si](CCCNCCN)(OCC)OCC
InChIInChI=1S/C11H28N2O3Si.C6H17NO2Si/c1-4-14-17(15-5-2,16-6-3)11-7-9-13-10-8-12;1-4-6(7)5-10(8-2)9-3/h13H,4-12H2,1-3H3;6,10H,4-5,7H2,1-3H3
InChIKeyUXHVMCDNRUEWTI-UHFFFAOYSA-N
MW427.74 g/mol
LogP1.21
Rot. Bonds17

About 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine

1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 173380907) has the molecular formula C17H45N3O5Si2 and a molecular weight of 427.74 g/mol. Its IUPAC name is 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
PubChem CID173380907
Molecular FormulaC17H45N3O5Si2
Molecular Weight427.74 g/mol
Exact Mass427.29
IUPAC Name1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCC(N)C[SiH](OC)OC.CCO[Si](CCCNCCN)(OCC)OCC
InChIInChI=1S/C11H28N2O3Si.C6H17NO2Si/c1-4-14-17(15-5-2,16-6-3)11-7-9-13-10-8-12;1-4-6(7)5-10(8-2)9-3/h13H,4-12H2,1-3H3;6,10H,4-5,7H2,1-3H3
InChIKeyUXHVMCDNRUEWTI-UHFFFAOYSA-N
XLogP1.21
TPSA110.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.74
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 162079222
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine
CID 18366419
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
CID 168864834
3-[1-aminoethoxy(diethoxy)silyl]-N-ethylpropan-1-amine
CID 87523892

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine (CID 173380907) is 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine is CCC(N)C[SiH](OC)OC.CCO[Si](CCCNCCN)(OCC)OCC.
What is the InChIKey of 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is UXHVMCDNRUEWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O3Si.C6H17NO2Si/c1-4-14-17(15-5-2,16-6-3)11-7-9-13-10-8-12;1-4-6(7)5-10(8-2)9-3/h13H,4-12H2,1-3H3;6,10H,4-5,7H2,1-3H3.
What are the key properties of 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine?
1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 427.74 g/mol, XLogP of 1.21, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 173380907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).