N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride

C11H19ClN2 — CID 139730638

IUPACN,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride
SMILESCC(C)C[n+]1ccc(N(C)C)cc1.[Cl-]
InChIInChI=1S/C11H19N2.ClH/c1-10(2)9-13-7-5-11(6-8-13)12(3)4;/h5-8,10H,9H2,1-4H3;1H/q+1;/p-1
InChIKeyXLNMBLGGBHESEX-UHFFFAOYSA-M
MW214.74 g/mol
LogP-1.30
Rot. Bonds3

About N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride

N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride (PubChem CID 139730638) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride
PubChem CID139730638
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC NameN,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride
SMILESCC(C)C[n+]1ccc(N(C)C)cc1.[Cl-]
InChIInChI=1S/C11H19N2.ClH/c1-10(2)9-13-7-5-11(6-8-13)12(3)4;/h5-8,10H,9H2,1-4H3;1H/q+1;/p-1
InChIKeyXLNMBLGGBHESEX-UHFFFAOYSA-M
XLogP-1.30
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dichloride
CID 46846045
1-chloro-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propan-2-ol chloride
CID 44887487
1-ethyl-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 15935242
1-(chloromethyl)-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 10512500
N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine
CID 23279341
1-[[3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dibromide
CID 11071248
1-(cyclopentyloxymethyl)-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 10015307
1-[[4-[4-[2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]phenyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine bromide
CID 86276112
1-decyl-N,N-dimethylpyridin-1-ium-4-amine iodide
CID 71323910
1-[[(1R,2R)-2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]cyclopropyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dibromide
CID 54583536
1-[[4-[(1E,3E)-4-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]buta-1,3-dienyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine
CID 86276093
1-[(3-fluorophenyl)methyl]-N,N-dimethylpyridin-1-ium-4-amine
CID 8864261

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride?
The IUPAC name of N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride (CID 139730638) is N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride.
What is the SMILES notation for N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride?
The canonical SMILES for N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride is CC(C)C[n+]1ccc(N(C)C)cc1.[Cl-].
What is the InChIKey of N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride?
The InChIKey is XLNMBLGGBHESEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19N2.ClH/c1-10(2)9-13-7-5-11(6-8-13)12(3)4;/h5-8,10H,9H2,1-4H3;1H/q+1;/p-1.
What are the key properties of N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride?
N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride has a molecular weight of 214.74 g/mol, XLogP of -1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride is sourced from PubChem (CID 139730638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).