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

C23H41ClN2O3Si — CID 19897983

IUPACN,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
SMILESCO[Si](CCC[n+]1ccc(N(C2CCCCC2)C2CCCCC2)cc1)(OC)OC.[Cl-]
InChIInChI=1S/C23H41N2O3Si.ClH/c1-26-29(27-2,28-3)20-10-17-24-18-15-23(16-19-24)25(21-11-6-4-7-12-21)22-13-8-5-9-14-22;/h15-16,18-19,21-22H,4-14,17,20H2,1-3H3;1H/q+1;/p-1
InChIKeyHHZJERUUBNGOLU-UHFFFAOYSA-M
MW457.13 g/mol
LogP1.72
Rot. Bonds10

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

N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride (PubChem CID 19897983) has the molecular formula C23H41ClN2O3Si and a molecular weight of 457.13 g/mol. Its IUPAC name is N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride.

Molecular Properties

Compound NameN,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
PubChem CID19897983
Molecular FormulaC23H41ClN2O3Si
Molecular Weight457.13 g/mol
Exact Mass456.26
IUPAC NameN,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
SMILESCO[Si](CCC[n+]1ccc(N(C2CCCCC2)C2CCCCC2)cc1)(OC)OC.[Cl-]
InChIInChI=1S/C23H41N2O3Si.ClH/c1-26-29(27-2,28-3)20-10-17-24-18-15-23(16-19-24)25(21-11-6-4-7-12-21)22-13-8-5-9-14-22;/h15-16,18-19,21-22H,4-14,17,20H2,1-3H3;1H/q+1;/p-1
InChIKeyHHZJERUUBNGOLU-UHFFFAOYSA-M
XLogP1.72
TPSA34.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.13
LogP ≤ 51.72
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

Pyridinium, 1,1'-(oxydimethylene)bis(4-(dimethylamino)-, dichloride
CID 3039803
2-(Trimethoxysilylethyl)pyridine
CID 2760506
2-Diphenylphosphino-4-pyridyl(dimethyl)amine
CID 10979688
4-Dimethylamino-1-methoxypyridinium perchlorate
CID 171383861
4,-N,N-Dimethylamino-2-(tributylstannyl)pyridine
CID 10927743
1-Butyl-4(dimethylamino)pyridin-1-ium-chloride
CID 12039956
1-dodecyl-N,N-dimethylpyridin-1-ium-4-amine
CID 12039959
N,N-diphenylpyridin-4-amine
CID 12454166
N-Methyl-N-phenylpyridin-4-amine
CID 13098491
N-methyl-N-(3-(triethoxysilyl)propyl)pyridin-4-amine
CID 15143396
N,N-di(propan-2-yl)pyridin-4-amine
CID 15577735
4-(Didecylamino)pyridine
CID 44185773

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride?
The IUPAC name of N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride (CID 19897983) is N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride.
What is the SMILES notation for N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride?
The canonical SMILES for N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride is CO[Si](CCC[n+]1ccc(N(C2CCCCC2)C2CCCCC2)cc1)(OC)OC.[Cl-].
What is the InChIKey of N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride?
The InChIKey is HHZJERUUBNGOLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H41N2O3Si.ClH/c1-26-29(27-2,28-3)20-10-17-24-18-15-23(16-19-24)25(21-11-6-4-7-12-21)22-13-8-5-9-14-22;/h15-16,18-19,21-22H,4-14,17,20H2,1-3H3;1H/q+1;/p-1.
What are the key properties of N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride?
N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride has a molecular weight of 457.13 g/mol, XLogP of 1.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride is sourced from PubChem (CID 19897983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).