N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine

C20H27NOSi — CID 14867116

IUPACN-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
SMILESC=CCC(c1ccccc1)N(Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C20H27NOSi/c1-5-12-20(19-15-10-7-11-16-19)21(22-23(2,3)4)17-18-13-8-6-9-14-18/h5-11,13-16,20H,1,12,17H2,2-4H3
InChIKeyQMBDFZQQHNEJTF-UHFFFAOYSA-N
MW325.53 g/mol
LogP5.57
Rot. Bonds8

About N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine

N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine (PubChem CID 14867116) has the molecular formula C20H27NOSi and a molecular weight of 325.53 g/mol. Its IUPAC name is N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine.

Molecular Properties

Compound NameN-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
PubChem CID14867116
Molecular FormulaC20H27NOSi
Molecular Weight325.53 g/mol
Exact Mass325.19
IUPAC NameN-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
SMILESC=CCC(c1ccccc1)N(Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C20H27NOSi/c1-5-12-20(19-15-10-7-11-16-19)21(22-23(2,3)4)17-18-13-8-6-9-14-18/h5-11,13-16,20H,1,12,17H2,2-4H3
InChIKeyQMBDFZQQHNEJTF-UHFFFAOYSA-N
XLogP5.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.53
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 5311017
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Lefetamine
CID 443970
Benzyl-methyl-(5-phenyl-pentyl)-amine
CID 18790196
N,N-Dimethyl-alpha-phenylbenzeneethanamine
CID 22779
Tribenzylamine N-oxide
CID 3624962
Benzyl-((R)-1-methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-amine
CID 44273383
(E)-N-benzyl-N-methyl-3-phenylbut-2-en-1-amine;hydrochloride
CID 57400895
N-tert-Butyldibenzylamine
CID 98601
Dibenzyldimethylammonium
CID 101570

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
The IUPAC name of N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine (CID 14867116) is N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine.
What is the SMILES notation for N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
The canonical SMILES for N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine is C=CCC(c1ccccc1)N(Cc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
The InChIKey is QMBDFZQQHNEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NOSi/c1-5-12-20(19-15-10-7-11-16-19)21(22-23(2,3)4)17-18-13-8-6-9-14-18/h5-11,13-16,20H,1,12,17H2,2-4H3.
What are the key properties of N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine has a molecular weight of 325.53 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine is sourced from PubChem (CID 14867116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).