2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol

C16H27NOSi — CID 11425909

IUPAC2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol
SMILESC/C(=C\[Si](C)(C)C)CN(CCO)Cc1ccccc1
InChIInChI=1S/C16H27NOSi/c1-15(14-19(2,3)4)12-17(10-11-18)13-16-8-6-5-7-9-16/h5-9,14,18H,10-13H2,1-4H3/b15-14+
InChIKeyKTRPGESKIZBWCI-CCEZHUSRSA-N
MW277.48 g/mol
LogP3.30
Rot. Bonds7

About 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol

2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol (PubChem CID 11425909) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol
PubChem CID11425909
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol
SMILESC/C(=C\[Si](C)(C)C)CN(CCO)Cc1ccccc1
InChIInChI=1S/C16H27NOSi/c1-15(14-19(2,3)4)12-17(10-11-18)13-16-8-6-5-7-9-16/h5-9,14,18H,10-13H2,1-4H3/b15-14+
InChIKeyKTRPGESKIZBWCI-CCEZHUSRSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoxonium Chloride
CID 29563
2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
N,N-Dibenzylethanolamine
CID 22657
N-Benzyl-N-methylethanolamine
CID 66876
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
Benzyl(methoxymethyl)((trimethylsilyl)methyl)amine
CID 353442
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
2-[(2-Fluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 783973
Benzyl(2-hydroxyethyl)dimethylammonium chloride
CID 3014549
3-(Dibenzylamino)-1-propanol
CID 4437007
2-[(3-Phenylpropyl)(propyl)amino]ethanol
CID 756834
2-[Benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol
CID 757598

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol (CID 11425909) is 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol is C/C(=C\[Si](C)(C)C)CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol?
The InChIKey is KTRPGESKIZBWCI-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H27NOSi/c1-15(14-19(2,3)4)12-17(10-11-18)13-16-8-6-5-7-9-16/h5-9,14,18H,10-13H2,1-4H3/b15-14+.
What are the key properties of 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol?
2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol has a molecular weight of 277.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]amino]ethanol is sourced from PubChem (CID 11425909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).