4-[chloro(methyl)silyl]-N-ethylbutan-1-amine

C7H18ClNSi — CID 154510188

IUPAC4-[chloro(methyl)silyl]-N-ethylbutan-1-amine
SMILESCCNCCCC[SiH](C)Cl
InChIInChI=1S/C7H18ClNSi/c1-3-9-6-4-5-7-10(2)8/h9-10H,3-7H2,1-2H3
InChIKeyHZBZHVIEYPJZDP-UHFFFAOYSA-N
MW179.77 g/mol
LogP1.97
Rot. Bonds6

About 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine

4-[chloro(methyl)silyl]-N-ethylbutan-1-amine (PubChem CID 154510188) has the molecular formula C7H18ClNSi and a molecular weight of 179.77 g/mol. Its IUPAC name is 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-[chloro(methyl)silyl]-N-ethylbutan-1-amine
PubChem CID154510188
Molecular FormulaC7H18ClNSi
Molecular Weight179.77 g/mol
Exact Mass179.09
IUPAC Name4-[chloro(methyl)silyl]-N-ethylbutan-1-amine
SMILESCCNCCCC[SiH](C)Cl
InChIInChI=1S/C7H18ClNSi/c1-3-9-6-4-5-7-10(2)8/h9-10H,3-7H2,1-2H3
InChIKeyHZBZHVIEYPJZDP-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.77
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine?
The IUPAC name of 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine (CID 154510188) is 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine.
What is the SMILES notation for 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine?
The canonical SMILES for 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine is CCNCCCC[SiH](C)Cl.
What is the InChIKey of 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine?
The InChIKey is HZBZHVIEYPJZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18ClNSi/c1-3-9-6-4-5-7-10(2)8/h9-10H,3-7H2,1-2H3.
What are the key properties of 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine?
4-[chloro(methyl)silyl]-N-ethylbutan-1-amine has a molecular weight of 179.77 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(methyl)silyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 154510188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).