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

C10H27N3O3Si — CID 18985191

IUPAC1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine
SMILESCO[Si](CCCNC(C)NCCN)(OC)OC
InChIInChI=1S/C10H27N3O3Si/c1-10(13-8-6-11)12-7-5-9-17(14-2,15-3)16-4/h10,12-13H,5-9,11H2,1-4H3
InChIKeyNEEIILSUWODZEZ-UHFFFAOYSA-N
MW265.43 g/mol
LogP-0.26
Rot. Bonds11

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

1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine (PubChem CID 18985191) has the molecular formula C10H27N3O3Si and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine
PubChem CID18985191
Molecular FormulaC10H27N3O3Si
Molecular Weight265.43 g/mol
Exact Mass265.18
IUPAC Name1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine
SMILESCO[Si](CCCNC(C)NCCN)(OC)OC
InChIInChI=1S/C10H27N3O3Si/c1-10(13-8-6-11)12-7-5-9-17(14-2,15-3)16-4/h10,12-13H,5-9,11H2,1-4H3
InChIKeyNEEIILSUWODZEZ-UHFFFAOYSA-N
XLogP-0.26
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine (CID 18985191) is 1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine is CO[Si](CCCNC(C)NCCN)(OC)OC.
What is the InChIKey of 1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine?
The InChIKey is NEEIILSUWODZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3O3Si/c1-10(13-8-6-11)12-7-5-9-17(14-2,15-3)16-4/h10,12-13H,5-9,11H2,1-4H3.
What are the key properties of 1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine?
1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine has a molecular weight of 265.43 g/mol, XLogP of -0.26, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-aminoethyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine is sourced from PubChem (CID 18985191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).