(1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine

C15H25NOSi — CID 10849171

IUPAC(1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
SMILESC=C[C@@H](C)[C@@H](c1ccccc1)N(C)O[Si](C)(C)C
InChIInChI=1S/C15H25NOSi/c1-7-13(2)15(14-11-9-8-10-12-14)16(3)17-18(4,5)6/h7-13,15H,1H2,2-6H3/t13-,15+/m1/s1
InChIKeyNBDXMFUNCKXBPS-HIFRSBDPSA-N
MW263.46 g/mol
LogP4.25
Rot. Bonds6

About (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine

(1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine (PubChem CID 10849171) has the molecular formula C15H25NOSi and a molecular weight of 263.46 g/mol. Its IUPAC name is (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine.

Molecular Properties

Compound Name(1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
PubChem CID10849171
Molecular FormulaC15H25NOSi
Molecular Weight263.46 g/mol
Exact Mass263.17
IUPAC Name(1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
SMILESC=C[C@@H](C)[C@@H](c1ccccc1)N(C)O[Si](C)(C)C
InChIInChI=1S/C15H25NOSi/c1-7-13(2)15(14-11-9-8-10-12-14)16(3)17-18(4,5)6/h7-13,15H,1H2,2-6H3/t13-,15+/m1/s1
InChIKeyNBDXMFUNCKXBPS-HIFRSBDPSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
The IUPAC name of (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine (CID 10849171) is (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine.
What is the SMILES notation for (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
The canonical SMILES for (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine is C=C[C@@H](C)[C@@H](c1ccccc1)N(C)O[Si](C)(C)C.
What is the InChIKey of (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
The InChIKey is NBDXMFUNCKXBPS-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H25NOSi/c1-7-13(2)15(14-11-9-8-10-12-14)16(3)17-18(4,5)6/h7-13,15H,1H2,2-6H3/t13-,15+/m1/s1.
What are the key properties of (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
(1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine has a molecular weight of 263.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-N,2-dimethyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine is sourced from PubChem (CID 10849171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).