N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine

C10H17N2+ — CID 23279341

IUPACN,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine
SMILESCC(C)[n+]1ccc(N(C)C)cc1
InChIInChI=1S/C10H17N2/c1-9(2)12-7-5-10(6-8-12)11(3)4/h5-9H,1-4H3/q+1
InChIKeyVKPRUWGPKUJDCJ-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.62
Rot. Bonds2

About N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine

N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine (PubChem CID 23279341) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine
PubChem CID23279341
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC NameN,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine
SMILESCC(C)[n+]1ccc(N(C)C)cc1
InChIInChI=1S/C10H17N2/c1-9(2)12-7-5-10(6-8-12)11(3)4/h5-9H,1-4H3/q+1
InChIKeyVKPRUWGPKUJDCJ-UHFFFAOYSA-N
XLogP1.62
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-iodohexyl)-N,N-dimethylpyridin-1-ium-4-amine
CID 87431743
1-[bis(4-fluorophenyl)methyl]-N,N-dimethylpyridin-1-ium-4-amine
CID 8864458
N,N-dimethyl-1-(2-methylpropyl)pyridin-1-ium-4-amine chloride
CID 139730638
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
1-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dichloride
CID 46846045
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
1-[bromo(difluoro)methyl]-N,N-dimethylpyridin-1-ium-4-amine
CID 10882126
1-ethyl-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 15935242
1-[4,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]-1,3,5-triazin-2-yl]-N,N-dimethylpyridin-1-ium-4-amine trichloride
CID 13350080
1-(chloromethyl)-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 10512500
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
1-[[3-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dibromide
CID 11071248

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine?
The IUPAC name of N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine (CID 23279341) is N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine.
What is the SMILES notation for N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine?
The canonical SMILES for N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine is CC(C)[n+]1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine?
The InChIKey is VKPRUWGPKUJDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2/c1-9(2)12-7-5-10(6-8-12)11(3)4/h5-9H,1-4H3/q+1.
What are the key properties of N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine?
N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine has a molecular weight of 165.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-ylpyridin-1-ium-4-amine is sourced from PubChem (CID 23279341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).