N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride

C17H31ClN2O — CID 10018560

IUPACN,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride
SMILESCCCCCCCCCOC[n+]1ccc(N(C)C)cc1.[Cl-]
InChIInChI=1S/C17H31N2O.ClH/c1-4-5-6-7-8-9-10-15-20-16-19-13-11-17(12-14-19)18(2)3;/h11-14H,4-10,15-16H2,1-3H3;1H/q+1;/p-1
InChIKeyOSGDHWKYSQTOAK-UHFFFAOYSA-M
MW314.90 g/mol
LogP0.77
Rot. Bonds11

About N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride

N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride (PubChem CID 10018560) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride
PubChem CID10018560
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC NameN,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride
SMILESCCCCCCCCCOC[n+]1ccc(N(C)C)cc1.[Cl-]
InChIInChI=1S/C17H31N2O.ClH/c1-4-5-6-7-8-9-10-15-20-16-19-13-11-17(12-14-19)18(2)3;/h11-14H,4-10,15-16H2,1-3H3;1H/q+1;/p-1
InChIKeyOSGDHWKYSQTOAK-UHFFFAOYSA-M
XLogP0.77
TPSA16.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide
CID 71323910
1-(pentoxymethyl)pyridin-1-ium-4-carboxamide chloride
CID 11807386
1-(cyclopentyloxymethyl)-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 10015307
1-ethyl-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 15935242
4-hexoxy-N,N-dimethylaniline
CID 19782341
1-(butylsulfanylmethyl)-N,N-dimethylpyridin-1-ium-4-amine
CID 10422747
1-pentyl-3-[6-[(3-pentylimidazol-1-ium-1-yl)methoxy]hexoxymethyl]imidazol-3-ium dichloride
CID 175685007
4-[2-(1-hexadecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
CID 4166459
N,N-dimethyl-4-[(E)-2-(1-tetracosylpyridin-1-ium-4-yl)ethenyl]aniline
CID 177488015
N,N-dimethylpyridin-4-amine;octane;dihydrobromide
CID 174752520
4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline bromide
CID 15250423
1-(chloromethyl)-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 10512500

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride?
The IUPAC name of N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride (CID 10018560) is N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride.
What is the SMILES notation for N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride?
The canonical SMILES for N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride is CCCCCCCCCOC[n+]1ccc(N(C)C)cc1.[Cl-].
What is the InChIKey of N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride?
The InChIKey is OSGDHWKYSQTOAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H31N2O.ClH/c1-4-5-6-7-8-9-10-15-20-16-19-13-11-17(12-14-19)18(2)3;/h11-14H,4-10,15-16H2,1-3H3;1H/q+1;/p-1.
What are the key properties of N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride?
N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride has a molecular weight of 314.90 g/mol, XLogP of 0.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(nonoxymethyl)pyridin-1-ium-4-amine chloride is sourced from PubChem (CID 10018560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).