3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine

C22H29NO3Si — CID 67738163

IUPAC3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine
SMILESC=CCc1ccccc1O[Si](CCCN)(OC)Oc1ccccc1CC=C
InChIInChI=1S/C22H29NO3Si/c1-4-11-19-13-6-8-15-21(19)25-27(24-3,18-10-17-23)26-22-16-9-7-14-20(22)12-5-2/h4-9,13-16H,1-2,10-12,17-18,23H2,3H3
InChIKeyLTENQQLYAQWDMR-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.54
Rot. Bonds12

About 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine

3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine (PubChem CID 67738163) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine
PubChem CID67738163
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine
SMILESC=CCc1ccccc1O[Si](CCCN)(OC)Oc1ccccc1CC=C
InChIInChI=1S/C22H29NO3Si/c1-4-11-19-13-6-8-15-21(19)25-27(24-3,18-10-17-23)26-22-16-9-7-14-20(22)12-5-2/h4-9,13-16H,1-2,10-12,17-18,23H2,3H3
InChIKeyLTENQQLYAQWDMR-UHFFFAOYSA-N
XLogP4.54
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine
CID 686101
CID 15477926
CID 15477926
methanol;toluene;3-trimethoxysilylpropan-1-amine
CID 174567080
1-prop-2-enyl-2-propylperoxybenzene
CID 87336505
2-(2-methoxyphenoxy)-6-prop-2-enylphenol
CID 22672183
methyl 2-(2-prop-2-enylphenoxy)butanoate
CID 59918636
ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 154957356
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine?
The IUPAC name of 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine (CID 67738163) is 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine.
What is the SMILES notation for 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine?
The canonical SMILES for 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine is C=CCc1ccccc1O[Si](CCCN)(OC)Oc1ccccc1CC=C.
What is the InChIKey of 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine?
The InChIKey is LTENQQLYAQWDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-4-11-19-13-6-8-15-21(19)25-27(24-3,18-10-17-23)26-22-16-9-7-14-20(22)12-5-2/h4-9,13-16H,1-2,10-12,17-18,23H2,3H3.
What are the key properties of 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine?
3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine has a molecular weight of 383.56 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine is sourced from PubChem (CID 67738163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).