(E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine

C20H31NOSi — CID 101222151

IUPAC(E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine
SMILESCC[C@@H](/C=C/CN(CC#C[Si](C)(C)C)Cc1ccccc1)OC
InChIInChI=1S/C20H31NOSi/c1-6-20(22-2)14-10-15-21(16-11-17-23(3,4)5)18-19-12-8-7-9-13-19/h7-10,12-14,20H,6,15-16,18H2,1-5H3/b14-10+/t20-/m0/s1
InChIKeyDLWKMVJOPQRZCB-HKFHZZIHSA-N
MW329.56 g/mol
LogP4.35
Rot. Bonds8

About (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine

(E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine (PubChem CID 101222151) has the molecular formula C20H31NOSi and a molecular weight of 329.56 g/mol. Its IUPAC name is (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine.

Molecular Properties

Compound Name(E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine
PubChem CID101222151
Molecular FormulaC20H31NOSi
Molecular Weight329.56 g/mol
Exact Mass329.22
IUPAC Name(E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine
SMILESCC[C@@H](/C=C/CN(CC#C[Si](C)(C)C)Cc1ccccc1)OC
InChIInChI=1S/C20H31NOSi/c1-6-20(22-2)14-10-15-21(16-11-17-23(3,4)5)18-19-12-8-7-9-13-19/h7-10,12-14,20H,6,15-16,18H2,1-5H3/b14-10+/t20-/m0/s1
InChIKeyDLWKMVJOPQRZCB-HKFHZZIHSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 54.35
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine?
The IUPAC name of (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine (CID 101222151) is (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine.
What is the SMILES notation for (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine?
The canonical SMILES for (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine is CC[C@@H](/C=C/CN(CC#C[Si](C)(C)C)Cc1ccccc1)OC.
What is the InChIKey of (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine?
The InChIKey is DLWKMVJOPQRZCB-HKFHZZIHSA-N. The full InChI is InChI=1S/C20H31NOSi/c1-6-20(22-2)14-10-15-21(16-11-17-23(3,4)5)18-19-12-8-7-9-13-19/h7-10,12-14,20H,6,15-16,18H2,1-5H3/b14-10+/t20-/m0/s1.
What are the key properties of (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine?
(E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine has a molecular weight of 329.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-N-benzyl-4-methoxy-N-(3-trimethylsilylprop-2-ynyl)hex-2-en-1-amine is sourced from PubChem (CID 101222151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).