N-[chloro-(diethylamino)-propylsilyl]ethanamine

C9H23ClN2Si — CID 87334550

IUPACN-[chloro-(diethylamino)-propylsilyl]ethanamine
SMILESCCC[Si](Cl)(NCC)N(CC)CC
InChIInChI=1S/C9H23ClN2Si/c1-5-9-13(10,11-6-2)12(7-3)8-4/h11H,5-9H2,1-4H3
InChIKeyXWYGXBWSXCNECC-UHFFFAOYSA-N
MW222.84 g/mol
LogP2.53
Rot. Bonds7

About N-[chloro-(diethylamino)-propylsilyl]ethanamine

N-[chloro-(diethylamino)-propylsilyl]ethanamine (PubChem CID 87334550) has the molecular formula C9H23ClN2Si and a molecular weight of 222.84 g/mol. Its IUPAC name is N-[chloro-(diethylamino)-propylsilyl]ethanamine.

Molecular Properties

Compound NameN-[chloro-(diethylamino)-propylsilyl]ethanamine
PubChem CID87334550
Molecular FormulaC9H23ClN2Si
Molecular Weight222.84 g/mol
Exact Mass222.13
IUPAC NameN-[chloro-(diethylamino)-propylsilyl]ethanamine
SMILESCCC[Si](Cl)(NCC)N(CC)CC
InChIInChI=1S/C9H23ClN2Si/c1-5-9-13(10,11-6-2)12(7-3)8-4/h11H,5-9H2,1-4H3
InChIKeyXWYGXBWSXCNECC-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.84
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloro-(diethylamino)-propylsilyl]ethanamine?
The IUPAC name of N-[chloro-(diethylamino)-propylsilyl]ethanamine (CID 87334550) is N-[chloro-(diethylamino)-propylsilyl]ethanamine.
What is the SMILES notation for N-[chloro-(diethylamino)-propylsilyl]ethanamine?
The canonical SMILES for N-[chloro-(diethylamino)-propylsilyl]ethanamine is CCC[Si](Cl)(NCC)N(CC)CC.
What is the InChIKey of N-[chloro-(diethylamino)-propylsilyl]ethanamine?
The InChIKey is XWYGXBWSXCNECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23ClN2Si/c1-5-9-13(10,11-6-2)12(7-3)8-4/h11H,5-9H2,1-4H3.
What are the key properties of N-[chloro-(diethylamino)-propylsilyl]ethanamine?
N-[chloro-(diethylamino)-propylsilyl]ethanamine has a molecular weight of 222.84 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-(diethylamino)-propylsilyl]ethanamine is sourced from PubChem (CID 87334550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).