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

C13H32ClN3Si — CID 12625985

IUPACN-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine
SMILESCCN(CC)[Si](CCl)(N(CC)CC)N(CC)CC
InChIInChI=1S/C13H32ClN3Si/c1-7-15(8-2)18(13-14,16(9-3)10-4)17(11-5)12-6/h7-13H2,1-6H3
InChIKeyLWWAJCLWZRODAK-UHFFFAOYSA-N
MW293.96 g/mol
LogP2.73
Rot. Bonds10

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

N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine (PubChem CID 12625985) has the molecular formula C13H32ClN3Si and a molecular weight of 293.96 g/mol. Its IUPAC name is N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine
PubChem CID12625985
Molecular FormulaC13H32ClN3Si
Molecular Weight293.96 g/mol
Exact Mass293.21
IUPAC NameN-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine
SMILESCCN(CC)[Si](CCl)(N(CC)CC)N(CC)CC
InChIInChI=1S/C13H32ClN3Si/c1-7-15(8-2)18(13-14,16(9-3)10-4)17(11-5)12-6/h7-13H2,1-6H3
InChIKeyLWWAJCLWZRODAK-UHFFFAOYSA-N
XLogP2.73
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.96
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine?
The IUPAC name of N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine (CID 12625985) is N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine.
What is the SMILES notation for N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine?
The canonical SMILES for N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine is CCN(CC)[Si](CCl)(N(CC)CC)N(CC)CC.
What is the InChIKey of N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine?
The InChIKey is LWWAJCLWZRODAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32ClN3Si/c1-7-15(8-2)18(13-14,16(9-3)10-4)17(11-5)12-6/h7-13H2,1-6H3.
What are the key properties of N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine?
N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine has a molecular weight of 293.96 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloromethyl-bis(diethylamino)silyl]-N-ethylethanamine is sourced from PubChem (CID 12625985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).