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

C19H23NSi — CID 101180194

IUPACN-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine
SMILESC[Si](C)(C)C#CC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NSi/c1-21(2,3)15-14-19(18-12-8-5-9-13-18)20-16-17-10-6-4-7-11-17/h4-13,19-20H,16H2,1-3H3
InChIKeyAFUAYQAXCASXDO-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.40
Rot. Bonds4

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

N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine (PubChem CID 101180194) has the molecular formula C19H23NSi and a molecular weight of 293.49 g/mol. Its IUPAC name is N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine
PubChem CID101180194
Molecular FormulaC19H23NSi
Molecular Weight293.49 g/mol
Exact Mass293.16
IUPAC NameN-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine
SMILESC[Si](C)(C)C#CC(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NSi/c1-21(2,3)15-14-19(18-12-8-5-9-13-18)20-16-17-10-6-4-7-11-17/h4-13,19-20H,16H2,1-3H3
InChIKeyAFUAYQAXCASXDO-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.40
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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Related Compounds

1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine
CID 135004228
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
4-methyl-N-(2-phenylethyl)-1-trimethylsilylpent-1-yn-3-amine
CID 135004241
N'-benzyl-N-methyl-1-phenylmethanediamine
CID 118518516
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
CID 166637296
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine?
The IUPAC name of N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine (CID 101180194) is N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine.
What is the SMILES notation for N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine?
The canonical SMILES for N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine is C[Si](C)(C)C#CC(NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine?
The InChIKey is AFUAYQAXCASXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NSi/c1-21(2,3)15-14-19(18-12-8-5-9-13-18)20-16-17-10-6-4-7-11-17/h4-13,19-20H,16H2,1-3H3.
What are the key properties of N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine?
N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine has a molecular weight of 293.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine is sourced from PubChem (CID 101180194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).