2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine

C12H25NO4Si — CID 140564249

IUPAC2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine
SMILESC=CCC1OC1(C)NC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C12H25NO4Si/c1-7-9-10-12(3,17-10)13-11(8-2)18(14-4,15-5)16-6/h7,10-11,13H,1,8-9H2,2-6H3
InChIKeyWINBBJYXAXLMPA-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.46
Rot. Bonds9

About 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine

2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine (PubChem CID 140564249) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine.

Molecular Properties

Compound Name2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine
PubChem CID140564249
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine
SMILESC=CCC1OC1(C)NC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C12H25NO4Si/c1-7-9-10-12(3,17-10)13-11(8-2)18(14-4,15-5)16-6/h7,10-11,13H,1,8-9H2,2-6H3
InChIKeyWINBBJYXAXLMPA-UHFFFAOYSA-N
XLogP1.46
TPSA52.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine with MolForge

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Related Compounds

N-methyl-1-trimethoxysilylpropan-1-amine
CID 19607493
2,2,3-trimethyl-3-propan-2-yl-4-prop-2-enyloxetane
CID 91533356
trimethoxy(pent-4-en-2-yl)silane
CID 87283043
(4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 89411691
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
(2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol
CID 54753822
1-ethenylsulfanylpropyl(trimethoxy)silane
CID 21425881
hex-5-en-2-yl(trimethoxy)silane
CID 22907711
N'-(1-phenylprop-2-enyl)-N-(1-trimethoxysilylpropyl)ethane-1,2-diamine
CID 70188809
N-(1-trimethoxysilylpropyl)hexan-1-amine
CID 87290664
N-[(3,3-dimethyloxiran-2-yl)methyl]prop-2-en-1-amine
CID 45076235
hydroxy-dimethyl-(1-trimethoxysilylpropyl)silane
CID 173175510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine?
The IUPAC name of 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine (CID 140564249) is 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine.
What is the SMILES notation for 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine?
The canonical SMILES for 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine is C=CCC1OC1(C)NC(CC)[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine?
The InChIKey is WINBBJYXAXLMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-7-9-10-12(3,17-10)13-11(8-2)18(14-4,15-5)16-6/h7,10-11,13H,1,8-9H2,2-6H3.
What are the key properties of 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine?
2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine has a molecular weight of 275.42 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine is sourced from PubChem (CID 140564249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).