2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol

C12H25NOSi — CID 11736307

IUPAC2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)C/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C12H25NOSi/c1-6-7-13(8-9-14)10-12(2)11-15(3,4)5/h6,11,14H,1,7-10H2,2-5H3/b12-11+
InChIKeyPFCNFKPFPYNRQI-VAWYXSNFSA-N
MW227.42 g/mol
LogP2.29
Rot. Bonds7

About 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol

2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol (PubChem CID 11736307) has the molecular formula C12H25NOSi and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol
PubChem CID11736307
Molecular FormulaC12H25NOSi
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)C/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C12H25NOSi/c1-6-7-13(8-9-14)10-12(2)11-15(3,4)5/h6,11,14H,1,7-10H2,2-5H3/b12-11+
InChIKeyPFCNFKPFPYNRQI-VAWYXSNFSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol (CID 11736307) is 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol is C=CCN(CCO)C/C(C)=C/[Si](C)(C)C.
What is the InChIKey of 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol?
The InChIKey is PFCNFKPFPYNRQI-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H25NOSi/c1-6-7-13(8-9-14)10-12(2)11-15(3,4)5/h6,11,14H,1,7-10H2,2-5H3/b12-11+.
What are the key properties of 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol?
2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol has a molecular weight of 227.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-prop-2-enylamino]ethanol is sourced from PubChem (CID 11736307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).