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

C8H22N2O3Si — CID 15659

IUPACN'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESCO[Si](CCCNCCN)(OC)OC
InChIInChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3
InChIKeyPHQOGHDTIVQXHL-UHFFFAOYSA-N
MW222.36 g/mol
LogP-0.20
Rot. Bonds9

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

N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 15659) has the molecular formula C8H22N2O3Si and a molecular weight of 222.36 g/mol. Its IUPAC name is N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
PubChem CID15659
Molecular FormulaC8H22N2O3Si
Molecular Weight222.36 g/mol
Exact Mass222.14
IUPAC NameN'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESCO[Si](CCCNCCN)(OC)OC
InChIInChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3
InChIKeyPHQOGHDTIVQXHL-UHFFFAOYSA-N
XLogP-0.20
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine (CID 15659) is N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine is CO[Si](CCCNCCN)(OC)OC.
What is the InChIKey of N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is PHQOGHDTIVQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3.
What are the key properties of N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 222.36 g/mol, XLogP of -0.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 15659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).