(2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine

C21H27NSi — CID 102492362

IUPAC(2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine
SMILESC=C/C(=C\[Si](C)(C)C)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NSi/c1-5-19(17-23(2,3)4)21(20-14-10-7-11-15-20)22-16-18-12-8-6-9-13-18/h5-15,17,21-22H,1,16H2,2-4H3/b19-17+
InChIKeyILDMCQIGRRESCM-HTXNQAPBSA-N
MW321.54 g/mol
LogP5.51
Rot. Bonds7

About (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine

(2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine (PubChem CID 102492362) has the molecular formula C21H27NSi and a molecular weight of 321.54 g/mol. Its IUPAC name is (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine.

Molecular Properties

Compound Name(2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine
PubChem CID102492362
Molecular FormulaC21H27NSi
Molecular Weight321.54 g/mol
Exact Mass321.19
IUPAC Name(2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine
SMILESC=C/C(=C\[Si](C)(C)C)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NSi/c1-5-19(17-23(2,3)4)21(20-14-10-7-11-15-20)22-16-18-12-8-6-9-13-18/h5-15,17,21-22H,1,16H2,2-4H3/b19-17+
InChIKeyILDMCQIGRRESCM-HTXNQAPBSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-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

N-benzyl-2-methylidene-1-phenylbut-3-en-1-amine
CID 87483808
(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
N-benzyl-4-methyl-2-methylidene-3-methylsulfanyl-1-phenylpent-3-en-1-amine
CID 14709896
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
(3R,4R)-N-benzyl-4-phenylpent-1-en-3-amine
CID 10911987
(E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine
CID 102298348
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129

Frequently Asked Questions

What is the IUPAC name of (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine?
The IUPAC name of (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine (CID 102492362) is (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine.
What is the SMILES notation for (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine?
The canonical SMILES for (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine is C=C/C(=C\[Si](C)(C)C)C(NCc1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine?
The InChIKey is ILDMCQIGRRESCM-HTXNQAPBSA-N. The full InChI is InChI=1S/C21H27NSi/c1-5-19(17-23(2,3)4)21(20-14-10-7-11-15-20)22-16-18-12-8-6-9-13-18/h5-15,17,21-22H,1,16H2,2-4H3/b19-17+.
What are the key properties of (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine?
(2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine has a molecular weight of 321.54 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine is sourced from PubChem (CID 102492362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).