4-trichlorosilylbutan-1-amine

C4H10Cl3NSi — CID 54147882

IUPAC4-trichlorosilylbutan-1-amine
SMILESNCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H10Cl3NSi/c5-9(6,7)4-2-1-3-8/h1-4,8H2
InChIKeyOFQUVAJGUQGUOI-UHFFFAOYSA-N
MW206.58 g/mol
LogP2.38
Rot. Bonds4

About 4-trichlorosilylbutan-1-amine

4-trichlorosilylbutan-1-amine (PubChem CID 54147882) has the molecular formula C4H10Cl3NSi and a molecular weight of 206.58 g/mol. Its IUPAC name is 4-trichlorosilylbutan-1-amine.

Molecular Properties

Compound Name4-trichlorosilylbutan-1-amine
PubChem CID54147882
Molecular FormulaC4H10Cl3NSi
Molecular Weight206.58 g/mol
Exact Mass204.96
IUPAC Name4-trichlorosilylbutan-1-amine
SMILESNCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H10Cl3NSi/c5-9(6,7)4-2-1-3-8/h1-4,8H2
InChIKeyOFQUVAJGUQGUOI-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.58
LogP ≤ 52.38
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'}

Analyze 4-trichlorosilylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

38-trichlorosilyloctatriacontan-1-amine
CID 87683970
trichloro(9-trichlorosilylnonyl)silane
CID 10172893
33-[dichloro(methyl)silyl]tritriacontan-1-amine
CID 87684387
N'-[2-(3-trichlorosilylpropylamino)ethyl]ethane-1,2-diamine
CID 88851735
4-[chloro-di(propan-2-yl)silyl]butan-1-amine
CID 170875355
(1R)-1-deuteriobutane-1,4-diamine
CID 136917319
trichloro(30-chlorotriacontyl)silane
CID 87686341
35-trichlorosilylpentatriacontan-1-ol
CID 87683942
6-trihydroxysilylhexan-1-amine
CID 87680718
8-trichlorosilyloctane-1-thiol
CID 87461786
23-trichlorosilyltricosan-1-ol
CID 87680976
5-trichlorosilylpentane-1-thiol
CID 140708886

Frequently Asked Questions

What is the IUPAC name of 4-trichlorosilylbutan-1-amine?
The IUPAC name of 4-trichlorosilylbutan-1-amine (CID 54147882) is 4-trichlorosilylbutan-1-amine.
What is the SMILES notation for 4-trichlorosilylbutan-1-amine?
The canonical SMILES for 4-trichlorosilylbutan-1-amine is NCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 4-trichlorosilylbutan-1-amine?
The InChIKey is OFQUVAJGUQGUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl3NSi/c5-9(6,7)4-2-1-3-8/h1-4,8H2.
What are the key properties of 4-trichlorosilylbutan-1-amine?
4-trichlorosilylbutan-1-amine has a molecular weight of 206.58 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trichlorosilylbutan-1-amine is sourced from PubChem (CID 54147882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).