N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine

C12H32N4O2Si — CID 178166442

IUPACN'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine
SMILESC[Si](C)(OCCNCCCN)OCCNCCCN
InChIInChI=1S/C12H32N4O2Si/c1-19(2,17-11-9-15-7-3-5-13)18-12-10-16-8-4-6-14/h15-16H,3-14H2,1-2H3
InChIKeyZVMXPZURPBVQMY-UHFFFAOYSA-N
MW292.50 g/mol
LogP-0.40
Rot. Bonds14

About N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine

N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine (PubChem CID 178166442) has the molecular formula C12H32N4O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine
PubChem CID178166442
Molecular FormulaC12H32N4O2Si
Molecular Weight292.50 g/mol
Exact Mass292.23
IUPAC NameN'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine
SMILESC[Si](C)(OCCNCCCN)OCCNCCCN
InChIInChI=1S/C12H32N4O2Si/c1-19(2,17-11-9-15-7-3-5-13)18-12-10-16-8-4-6-14/h15-16H,3-14H2,1-2H3
InChIKeyZVMXPZURPBVQMY-UHFFFAOYSA-N
XLogP-0.40
TPSA94.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

1,3-Propanediamine, N-[3-(triethoxysilyl)propyl]-
CID 94710
Triethoxy-[3-(1,5,9,13-tetrazacyclohexadec-1-yl)propyl]silane
CID 10906168
2-[dimethyl-[2-(methylamino)ethoxy]silyl]oxy-N-methylethanamine
CID 13144888
N',N'-dimethyl-N-(3-triethoxysilylpropyl)propane-1,3-diamine
CID 17990614
N'-(2-tripropoxysilylethyl)propane-1,3-diamine
CID 18006727
N'-(2-triethoxysilylethyl)propane-1,3-diamine
CID 18006731
N'-[3-[diethoxy(ethyl)silyl]propyl]propane-1,3-diamine
CID 20320836
N'-[3-[diethoxy(propyl)silyl]propyl]propane-1,3-diamine
CID 20320849
N'-[3-[ethyl(dipropoxy)silyl]propyl]propane-1,3-diamine
CID 20320862
N'-(3-tripropoxysilylpropyl)propane-1,3-diamine
CID 20320867
N'-[3-[methyl(dipropoxy)silyl]propyl]propane-1,3-diamine
CID 20320868
N'-[3-[dipropoxy(propyl)silyl]propyl]propane-1,3-diamine
CID 20320870

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine?
The IUPAC name of N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine (CID 178166442) is N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine is C[Si](C)(OCCNCCCN)OCCNCCCN.
What is the InChIKey of N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine?
The InChIKey is ZVMXPZURPBVQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32N4O2Si/c1-19(2,17-11-9-15-7-3-5-13)18-12-10-16-8-4-6-14/h15-16H,3-14H2,1-2H3.
What are the key properties of N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine?
N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine has a molecular weight of 292.50 g/mol, XLogP of -0.40, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine is sourced from PubChem (CID 178166442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).