N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate

C25H56N2O9Si2 — CID 87852488

IUPACN-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNCCC[Si](OCC)(OCC)OCC.CCNC(C(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C16H33NO6Si.C9H23NO3Si/c1-6-21-24(22-7-2,23-8-3)11-9-10-17-12-15(18)13-20-16(19)14(4)5;1-7-10-9(8(2)3)14(11-4,12-5)13-6/h15,17-18H,4,6-13H2,1-3,5H3;8-10H,7H2,1-6H3
InChIKeyKBBZRYQIRXIIJW-UHFFFAOYSA-N
MW584.90 g/mol
LogP2.53
Rot. Bonds22

About N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate

N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate (PubChem CID 87852488) has the molecular formula C25H56N2O9Si2 and a molecular weight of 584.90 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate
PubChem CID87852488
Molecular FormulaC25H56N2O9Si2
Molecular Weight584.90 g/mol
Exact Mass584.35
IUPAC NameN-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CNCCC[Si](OCC)(OCC)OCC.CCNC(C(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C16H33NO6Si.C9H23NO3Si/c1-6-21-24(22-7-2,23-8-3)11-9-10-17-12-15(18)13-20-16(19)14(4)5;1-7-10-9(8(2)3)14(11-4,12-5)13-6/h15,17-18H,4,6-13H2,1-3,5H3;8-10H,7H2,1-6H3
InChIKeyKBBZRYQIRXIIJW-UHFFFAOYSA-N
XLogP2.53
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.90
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate
CID 87800382
[(E)-2-hydroxy-12-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]amino]dodec-8-enyl] 2-methylprop-2-enoate
CID 159679404
(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine
CID 99865004
N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 87214353
[2-hydroxy-3-(2-methylphosphanylsulfanylethylamino)propyl] 2-methylprop-2-enoate
CID 134373212
(2-methyl-3-triethoxysilylpropyl) 2-methylprop-2-enoate
CID 22597143
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
CID 141157653
triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 88852142
2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 58695545
3-hydroxy-2-[[3-[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoyl]amino]-3-oxopropane-1-sulfonate
CID 58903379
sodium 3-hydroxy-2-[[3-[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoyl]amino]-3-oxopropane-1-sulfonate
CID 59439714
[2-hydroxy-3-(3-trimethoxysilylpropylamino)propyl] 2-methyl-2-propylhexanoate
CID 140930187

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate?
The IUPAC name of N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate (CID 87852488) is N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate?
The canonical SMILES for N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CNCCC[Si](OCC)(OCC)OCC.CCNC(C(C)C)[Si](OC)(OC)OC.
What is the InChIKey of N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate?
The InChIKey is KBBZRYQIRXIIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO6Si.C9H23NO3Si/c1-6-21-24(22-7-2,23-8-3)11-9-10-17-12-15(18)13-20-16(19)14(4)5;1-7-10-9(8(2)3)14(11-4,12-5)13-6/h15,17-18H,4,6-13H2,1-3,5H3;8-10H,7H2,1-6H3.
What are the key properties of N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate?
N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate has a molecular weight of 584.90 g/mol, XLogP of 2.53, 22 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine;[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87852488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).