N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine

C11H30N2O6Si2 — CID 151278639

IUPACN'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine
SMILESCO[Si](OC)(OC)[Si](OC)(OC)OCCCCNCCN
InChIInChI=1S/C11H30N2O6Si2/c1-14-20(15-2,16-3)21(17-4,18-5)19-11-7-6-9-13-10-8-12/h13H,6-12H2,1-5H3
InChIKeyNXXBVAQIJQHSLW-UHFFFAOYSA-N
MW342.54 g/mol
LogP-0.48
Rot. Bonds14

About N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine

N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine (PubChem CID 151278639) has the molecular formula C11H30N2O6Si2 and a molecular weight of 342.54 g/mol. Its IUPAC name is N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine
PubChem CID151278639
Molecular FormulaC11H30N2O6Si2
Molecular Weight342.54 g/mol
Exact Mass342.16
IUPAC NameN'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine
SMILESCO[Si](OC)(OC)[Si](OC)(OC)OCCCCNCCN
InChIInChI=1S/C11H30N2O6Si2/c1-14-20(15-2,16-3)21(17-4,18-5)19-11-7-6-9-13-10-8-12/h13H,6-12H2,1-5H3
InChIKeyNXXBVAQIJQHSLW-UHFFFAOYSA-N
XLogP-0.48
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.54
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
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'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
CID 175131776
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine
CID 87376652

Frequently Asked Questions

What is the IUPAC name of N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine (CID 151278639) is N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine is CO[Si](OC)(OC)[Si](OC)(OC)OCCCCNCCN.
What is the InChIKey of N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine?
The InChIKey is NXXBVAQIJQHSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H30N2O6Si2/c1-14-20(15-2,16-3)21(17-4,18-5)19-11-7-6-9-13-10-8-12/h13H,6-12H2,1-5H3.
What are the key properties of N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine?
N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine has a molecular weight of 342.54 g/mol, XLogP of -0.48, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine is sourced from PubChem (CID 151278639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).