1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid

C12H28N2O5Si — CID 160747062

IUPAC1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCC[Si](OC)(OC)OC(N)(N)CC
InChIInChI=1S/C8H22N2O3Si.C4H6O2/c1-5-7-14(11-3,12-4)13-8(9,10)6-2;1-3(2)4(5)6/h5-7,9-10H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeyRWIAXMHLBQJJPZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.27
Rot. Bonds8

About 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid

1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid (PubChem CID 160747062) has the molecular formula C12H28N2O5Si and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid
PubChem CID160747062
Molecular FormulaC12H28N2O5Si
Molecular Weight308.45 g/mol
Exact Mass308.18
IUPAC Name1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCC[Si](OC)(OC)OC(N)(N)CC
InChIInChI=1S/C8H22N2O3Si.C4H6O2/c1-5-7-14(11-3,12-4)13-8(9,10)6-2;1-3(2)4(5)6/h5-7,9-10H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeyRWIAXMHLBQJJPZ-UHFFFAOYSA-N
XLogP1.27
TPSA117.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine
CID 88723815
2-methylprop-2-enoate;trimethoxy(propyl)silane
CID 22007225
2-methylprop-2-enoic acid;triethoxy(propyl)silane
CID 87573070
5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
CID 150062976
propan-2-imine;trimethoxy(propyl)silane
CID 174526925
bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane
CID 88807806
2,2-dimethylbutane;methyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175215744
2-methylprop-2-enamide;triethoxy(propyl)silane
CID 22731699
(methoxy-propyl-propylsilyloxysilyl) 2-methylprop-2-enoate
CID 123252488
azane;bis(trimethoxy(propyl)silane)
CID 87892957
2-methylprop-2-enoic acid;1-trimethoxysilylpropan-1-one
CID 174596050
2-(hydroxymethyl)-2-methylpropane-1,3-diol;bis(2-methylprop-2-enoic acid);1-propoxypropane
CID 173247855

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid?
The IUPAC name of 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid (CID 160747062) is 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid.
What is the SMILES notation for 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid?
The canonical SMILES for 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCC[Si](OC)(OC)OC(N)(N)CC.
What is the InChIKey of 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid?
The InChIKey is RWIAXMHLBQJJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si.C4H6O2/c1-5-7-14(11-3,12-4)13-8(9,10)6-2;1-3(2)4(5)6/h5-7,9-10H2,1-4H3;1H2,2H3,(H,5,6).
What are the key properties of 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid?
1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid has a molecular weight of 308.45 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid is sourced from PubChem (CID 160747062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).