1-chloro-N-ethyl-1-silylethanamine

C4H12ClNSi — CID 173058976

IUPAC1-chloro-N-ethyl-1-silylethanamine
SMILESCCNC(C)([SiH3])Cl
InChIInChI=1S/C4H12ClNSi/c1-3-6-4(2,5)7/h6H,3H2,1-2,7H3
InChIKeyWWCIWXJQAJRZPA-UHFFFAOYSA-N
MW137.69 g/mol
LogP-0.13
Rot. Bonds2

About 1-chloro-N-ethyl-1-silylethanamine

1-chloro-N-ethyl-1-silylethanamine (PubChem CID 173058976) has the molecular formula C4H12ClNSi and a molecular weight of 137.69 g/mol. Its IUPAC name is 1-chloro-N-ethyl-1-silylethanamine.

Molecular Properties

Compound Name1-chloro-N-ethyl-1-silylethanamine
PubChem CID173058976
Molecular FormulaC4H12ClNSi
Molecular Weight137.69 g/mol
Exact Mass137.04
IUPAC Name1-chloro-N-ethyl-1-silylethanamine
SMILESCCNC(C)([SiH3])Cl
InChIInChI=1S/C4H12ClNSi/c1-3-6-4(2,5)7/h6H,3H2,1-2,7H3
InChIKeyWWCIWXJQAJRZPA-UHFFFAOYSA-N
XLogP-0.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.69
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-chloro-N-ethyl-1-silylethanamine 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 1-chloro-N-ethyl-1-silylethanamine?
The IUPAC name of 1-chloro-N-ethyl-1-silylethanamine (CID 173058976) is 1-chloro-N-ethyl-1-silylethanamine.
What is the SMILES notation for 1-chloro-N-ethyl-1-silylethanamine?
The canonical SMILES for 1-chloro-N-ethyl-1-silylethanamine is CCNC(C)([SiH3])Cl.
What is the InChIKey of 1-chloro-N-ethyl-1-silylethanamine?
The InChIKey is WWCIWXJQAJRZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12ClNSi/c1-3-6-4(2,5)7/h6H,3H2,1-2,7H3.
What are the key properties of 1-chloro-N-ethyl-1-silylethanamine?
1-chloro-N-ethyl-1-silylethanamine has a molecular weight of 137.69 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-ethyl-1-silylethanamine is sourced from PubChem (CID 173058976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).