N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine

C7H18Cl3N3Si — CID 88851735

IUPACN'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H18Cl3N3Si/c8-14(9,10)7-1-3-12-5-6-13-4-2-11/h12-13H,1-7,11H2
InChIKeyXBHNDOHSLHFKKZ-UHFFFAOYSA-N
MW278.69 g/mol
LogP1.17
Rot. Bonds9

About N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine

N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine (PubChem CID 88851735) has the molecular formula C7H18Cl3N3Si and a molecular weight of 278.69 g/mol. Its IUPAC name is N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine
PubChem CID88851735
Molecular FormulaC7H18Cl3N3Si
Molecular Weight278.69 g/mol
Exact Mass277.03
IUPAC NameN'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H18Cl3N3Si/c8-14(9,10)7-1-3-12-5-6-13-4-2-11/h12-13H,1-7,11H2
InChIKeyXBHNDOHSLHFKKZ-UHFFFAOYSA-N
XLogP1.17
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine (CID 88851735) is N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine is NCCNCCNCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine?
The InChIKey is XBHNDOHSLHFKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18Cl3N3Si/c8-14(9,10)7-1-3-12-5-6-13-4-2-11/h12-13H,1-7,11H2.
What are the key properties of N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine?
N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine has a molecular weight of 278.69 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 88851735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).