2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine

C16H24N4+2 — CID 101458800

IUPAC2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine
SMILESCN(C)c1cc[n+](C)c(-c2cc(N(C)C)cc[n+]2C)c1
InChIInChI=1S/C16H24N4/c1-17(2)13-7-9-19(5)15(11-13)16-12-14(18(3)4)8-10-20(16)6/h7-12H,1-6H3/q+2
InChIKeyDQIFKWQRIZNPOG-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine

2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine (PubChem CID 101458800) has the molecular formula C16H24N4+2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine
PubChem CID101458800
Molecular FormulaC16H24N4+2
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine
SMILESCN(C)c1cc[n+](C)c(-c2cc(N(C)C)cc[n+]2C)c1
InChIInChI=1S/C16H24N4/c1-17(2)13-7-9-19(5)15(11-13)16-12-14(18(3)4)8-10-20(16)6/h7-12H,1-6H3/q+2
InChIKeyDQIFKWQRIZNPOG-UHFFFAOYSA-N
XLogP1.13
TPSA14.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Bipyridine
CID 1474
Diquat Dibromide
CID 6794
Diquat
CID 6795
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Cetylpyridinium
CID 2683
2-Propylpyridine
CID 69320
N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
2-Pentylpyridine
CID 16800
4-(Dimethylamino)pyridine
CID 14284
Dodecylpyridinium chloride
CID 7717
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2-Butylpyridine
CID 78750

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine?
The IUPAC name of 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine (CID 101458800) is 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine is CN(C)c1cc[n+](C)c(-c2cc(N(C)C)cc[n+]2C)c1.
What is the InChIKey of 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine?
The InChIKey is DQIFKWQRIZNPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-17(2)13-7-9-19(5)15(11-13)16-12-14(18(3)4)8-10-20(16)6/h7-12H,1-6H3/q+2.
What are the key properties of 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine?
2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine has a molecular weight of 272.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-1-methylpyridin-1-ium-2-yl]-N,N,1-trimethylpyridin-1-ium-4-amine is sourced from PubChem (CID 101458800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).