1-trichlorosilylbutan-1-amine

C4H10Cl3NSi — CID 21459383

IUPAC1-trichlorosilylbutan-1-amine
SMILESCCCC(N)[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H10Cl3NSi/c1-2-3-4(8)9(5,6)7/h4H,2-3,8H2,1H3
InChIKeyBYSQSACDNDVKOO-UHFFFAOYSA-N
MW206.58 g/mol
LogP2.31
Rot. Bonds3

About 1-trichlorosilylbutan-1-amine

1-trichlorosilylbutan-1-amine (PubChem CID 21459383) has the molecular formula C4H10Cl3NSi and a molecular weight of 206.58 g/mol. Its IUPAC name is 1-trichlorosilylbutan-1-amine.

Molecular Properties

Compound Name1-trichlorosilylbutan-1-amine
PubChem CID21459383
Molecular FormulaC4H10Cl3NSi
Molecular Weight206.58 g/mol
Exact Mass204.96
IUPAC Name1-trichlorosilylbutan-1-amine
SMILESCCCC(N)[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H10Cl3NSi/c1-2-3-4(8)9(5,6)7/h4H,2-3,8H2,1H3
InChIKeyBYSQSACDNDVKOO-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.58
LogP ≤ 52.31
H-Bond Donors ≤ 51
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 1-trichlorosilylbutan-1-amine?
The IUPAC name of 1-trichlorosilylbutan-1-amine (CID 21459383) is 1-trichlorosilylbutan-1-amine.
What is the SMILES notation for 1-trichlorosilylbutan-1-amine?
The canonical SMILES for 1-trichlorosilylbutan-1-amine is CCCC(N)[Si](Cl)(Cl)Cl.
What is the InChIKey of 1-trichlorosilylbutan-1-amine?
The InChIKey is BYSQSACDNDVKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl3NSi/c1-2-3-4(8)9(5,6)7/h4H,2-3,8H2,1H3.
What are the key properties of 1-trichlorosilylbutan-1-amine?
1-trichlorosilylbutan-1-amine has a molecular weight of 206.58 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trichlorosilylbutan-1-amine is sourced from PubChem (CID 21459383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).