N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine

C10H24ClNSi — CID 173059294

IUPACN-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine
SMILESCCC(C)C(C)[SiH](Cl)N(CC)CC
InChIInChI=1S/C10H24ClNSi/c1-6-9(4)10(5)13(11)12(7-2)8-3/h9-10,13H,6-8H2,1-5H3
InChIKeyZDCFOYLGECPYKU-UHFFFAOYSA-N
MW221.85 g/mol
LogP3.22
Rot. Bonds6

About N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine

N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine (PubChem CID 173059294) has the molecular formula C10H24ClNSi and a molecular weight of 221.85 g/mol. Its IUPAC name is N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine
PubChem CID173059294
Molecular FormulaC10H24ClNSi
Molecular Weight221.85 g/mol
Exact Mass221.14
IUPAC NameN-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine
SMILESCCC(C)C(C)[SiH](Cl)N(CC)CC
InChIInChI=1S/C10H24ClNSi/c1-6-9(4)10(5)13(11)12(7-2)8-3/h9-10,13H,6-8H2,1-5H3
InChIKeyZDCFOYLGECPYKU-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.85
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(3-methylpentan-2-yl)silyl]-N-ethylethanamine?
The IUPAC name of N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine (CID 173059294) is N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine.
What is the SMILES notation for N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine?
The canonical SMILES for N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine is CCC(C)C(C)[SiH](Cl)N(CC)CC.
What is the InChIKey of N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine?
The InChIKey is ZDCFOYLGECPYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24ClNSi/c1-6-9(4)10(5)13(11)12(7-2)8-3/h9-10,13H,6-8H2,1-5H3.
What are the key properties of N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine?
N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine has a molecular weight of 221.85 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(3-methylpentan-2-yl)silyl]-N-ethylethanamine is sourced from PubChem (CID 173059294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).