N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride

C19H37ClN2O3Si — CID 19897981

IUPACN,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
SMILESCCCCN(CCCC)c1cc[n+](CCC[Si](OC)(OC)OC)cc1.[Cl-]
InChIInChI=1S/C19H37N2O3Si.ClH/c1-6-8-14-21(15-9-7-2)19-11-16-20(17-12-19)13-10-18-25(22-3,23-4)24-5;/h11-12,16-17H,6-10,13-15,18H2,1-5H3;1H/q+1;/p-1
InChIKeyZCRPRHSXDBNGQY-UHFFFAOYSA-M
MW405.06 g/mol
LogP0.65
Rot. Bonds14

About N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride

N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride (PubChem CID 19897981) has the molecular formula C19H37ClN2O3Si and a molecular weight of 405.06 g/mol. Its IUPAC name is N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride.

Molecular Properties

Compound NameN,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
PubChem CID19897981
Molecular FormulaC19H37ClN2O3Si
Molecular Weight405.06 g/mol
Exact Mass404.23
IUPAC NameN,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
SMILESCCCCN(CCCC)c1cc[n+](CCC[Si](OC)(OC)OC)cc1.[Cl-]
InChIInChI=1S/C19H37N2O3Si.ClH/c1-6-8-14-21(15-9-7-2)19-11-16-20(17-12-19)13-10-18-25(22-3,23-4)24-5;/h11-12,16-17H,6-10,13-15,18H2,1-5H3;1H/q+1;/p-1
InChIKeyZCRPRHSXDBNGQY-UHFFFAOYSA-M
XLogP0.65
TPSA34.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.06
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
CID 19897983
triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane
CID 102388742
N,N-bis(2-methoxyethyl)-4-[[1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-yl]diazenyl]aniline;4-[[2-(1-butylpyridin-1-ium-4-yl)-1,3-benzothiazol-6-yl]diazenyl]-N,N-bis(2-methoxyethyl)aniline
CID 90880061
N-(2-isocyanoethyl)-N-(3-trimethoxysilylpropyl)aniline
CID 140848670
N,N-dihexyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 19067595
N,N-dibutyl-4-[2-[1-[11-[11-[4-[2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]undecyldisulfanyl]undecyl]pyridin-1-ium-4-yl]ethenyl]aniline
CID 76565832
1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide
CID 71323910
4-[2-(1-butylpyridin-1-ium-4-yl)ethenyl]-N,N-didodecylaniline iodide
CID 160525428
N,N-dibutyl-1-heptan-3-ylpyridin-1-ium-4-amine chloride
CID 23165283
3-[4-[(1E,3E,5E)-6-[4-(dibutylamino)phenyl]hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]propyl-triethylazanium
CID 25195392
N,N-dibutyl-4-[(1E,3E)-4-[1-[3-(diethylamino)propyl]pyridin-1-ium-4-yl]buta-1,3-dienyl]aniline
CID 6439036
4-butan-2-ylpyridine;3-[4-[5-(1-butylpyridin-1-ium-4-yl)heptan-2-yl]pyridin-1-ium-1-yl]propyl-trimethoxysilane;methane
CID 157252927

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride?
The IUPAC name of N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride (CID 19897981) is N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride.
What is the SMILES notation for N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride?
The canonical SMILES for N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride is CCCCN(CCCC)c1cc[n+](CCC[Si](OC)(OC)OC)cc1.[Cl-].
What is the InChIKey of N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride?
The InChIKey is ZCRPRHSXDBNGQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H37N2O3Si.ClH/c1-6-8-14-21(15-9-7-2)19-11-16-20(17-12-19)13-10-18-25(22-3,23-4)24-5;/h11-12,16-17H,6-10,13-15,18H2,1-5H3;1H/q+1;/p-1.
What are the key properties of N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride?
N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride has a molecular weight of 405.06 g/mol, XLogP of 0.65, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride is sourced from PubChem (CID 19897981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).