N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine

C14H21NSi — CID 102437239

IUPACN-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine
SMILESCN(CC#C[Si](C)(C)C)Cc1ccccc1
InChIInChI=1S/C14H21NSi/c1-15(11-8-12-16(2,3)4)13-14-9-6-5-7-10-14/h5-7,9-10H,11,13H2,1-4H3
InChIKeyCBWFREFNFFYSAV-UHFFFAOYSA-N
MW231.42 g/mol
LogP3.00
Rot. Bonds3

About N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine

N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine (PubChem CID 102437239) has the molecular formula C14H21NSi and a molecular weight of 231.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine
PubChem CID102437239
Molecular FormulaC14H21NSi
Molecular Weight231.42 g/mol
Exact Mass231.14
IUPAC NameN-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine
SMILESCN(CC#C[Si](C)(C)C)Cc1ccccc1
InChIInChI=1S/C14H21NSi/c1-15(11-8-12-16(2,3)4)13-14-9-6-5-7-10-14/h5-7,9-10H,11,13H2,1-4H3
InChIKeyCBWFREFNFFYSAV-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
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 N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine?
The IUPAC name of N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine (CID 102437239) is N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine?
The canonical SMILES for N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine is CN(CC#C[Si](C)(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine?
The InChIKey is CBWFREFNFFYSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NSi/c1-15(11-8-12-16(2,3)4)13-14-9-6-5-7-10-14/h5-7,9-10H,11,13H2,1-4H3.
What are the key properties of N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine?
N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine has a molecular weight of 231.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-trimethylsilylprop-2-yn-1-amine is sourced from PubChem (CID 102437239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).