1-[dimethyl(phenyl)silyl]but-3-yn-1-amine

C12H17NSi — CID 122403263

IUPAC1-[dimethyl(phenyl)silyl]but-3-yn-1-amine
SMILESC#CCC(N)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H17NSi/c1-4-8-12(13)14(2,3)11-9-6-5-7-10-11/h1,5-7,9-10,12H,8,13H2,2-3H3
InChIKeyAZZKIZRCBCRGKH-UHFFFAOYSA-N
MW203.36 g/mol
LogP1.49
Rot. Bonds3

About 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine

1-[dimethyl(phenyl)silyl]but-3-yn-1-amine (PubChem CID 122403263) has the molecular formula C12H17NSi and a molecular weight of 203.36 g/mol. Its IUPAC name is 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine.

Molecular Properties

Compound Name1-[dimethyl(phenyl)silyl]but-3-yn-1-amine
PubChem CID122403263
Molecular FormulaC12H17NSi
Molecular Weight203.36 g/mol
Exact Mass203.11
IUPAC Name1-[dimethyl(phenyl)silyl]but-3-yn-1-amine
SMILESC#CCC(N)[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H17NSi/c1-4-8-12(13)14(2,3)11-9-6-5-7-10-11/h1,5-7,9-10,12H,8,13H2,2-3H3
InChIKeyAZZKIZRCBCRGKH-UHFFFAOYSA-N
XLogP1.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine?
The IUPAC name of 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine (CID 122403263) is 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine.
What is the SMILES notation for 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine?
The canonical SMILES for 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine is C#CCC(N)[Si](C)(C)c1ccccc1.
What is the InChIKey of 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine?
The InChIKey is AZZKIZRCBCRGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NSi/c1-4-8-12(13)14(2,3)11-9-6-5-7-10-11/h1,5-7,9-10,12H,8,13H2,2-3H3.
What are the key properties of 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine?
1-[dimethyl(phenyl)silyl]but-3-yn-1-amine has a molecular weight of 203.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(phenyl)silyl]but-3-yn-1-amine is sourced from PubChem (CID 122403263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).