N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine

C9H22Cl2N2Si — CID 19875169

IUPACN-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine
SMILESCCN(CC)[Si](Cl)(CCl)N(CC)CC
InChIInChI=1S/C9H22Cl2N2Si/c1-5-12(6-2)14(11,9-10)13(7-3)8-4/h5-9H2,1-4H3
InChIKeyQFXJCJBZKFKTFQ-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.63
Rot. Bonds7

About N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine

N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine (PubChem CID 19875169) has the molecular formula C9H22Cl2N2Si and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine
PubChem CID19875169
Molecular FormulaC9H22Cl2N2Si
Molecular Weight257.28 g/mol
Exact Mass256.09
IUPAC NameN-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine
SMILESCCN(CC)[Si](Cl)(CCl)N(CC)CC
InChIInChI=1S/C9H22Cl2N2Si/c1-5-12(6-2)14(11,9-10)13(7-3)8-4/h5-9H2,1-4H3
InChIKeyQFXJCJBZKFKTFQ-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine 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-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine?
The IUPAC name of N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine (CID 19875169) is N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine.
What is the SMILES notation for N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine?
The canonical SMILES for N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine is CCN(CC)[Si](Cl)(CCl)N(CC)CC.
What is the InChIKey of N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine?
The InChIKey is QFXJCJBZKFKTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22Cl2N2Si/c1-5-12(6-2)14(11,9-10)13(7-3)8-4/h5-9H2,1-4H3.
What are the key properties of N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine?
N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine has a molecular weight of 257.28 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-(chloromethyl)-(diethylamino)silyl]-N-ethylethanamine is sourced from PubChem (CID 19875169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).