N,N,1,6-tetramethylpyridin-1-ium-2-amine

C9H15N2+ — CID 23389059

IUPACN,N,1,6-tetramethylpyridin-1-ium-2-amine
SMILESCc1cccc(N(C)C)[n+]1C
InChIInChI=1S/C9H15N2/c1-8-6-5-7-9(10(2)3)11(8)4/h5-7H,1-4H3/q+1
InChIKeyHRHZIJXMZCNVDU-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.89
Rot. Bonds1

About N,N,1,6-tetramethylpyridin-1-ium-2-amine

N,N,1,6-tetramethylpyridin-1-ium-2-amine (PubChem CID 23389059) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is N,N,1,6-tetramethylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN,N,1,6-tetramethylpyridin-1-ium-2-amine
PubChem CID23389059
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC NameN,N,1,6-tetramethylpyridin-1-ium-2-amine
SMILESCc1cccc(N(C)C)[n+]1C
InChIInChI=1S/C9H15N2/c1-8-6-5-7-9(10(2)3)11(8)4/h5-7H,1-4H3/q+1
InChIKeyHRHZIJXMZCNVDU-UHFFFAOYSA-N
XLogP0.89
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.89
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

2-Amino-6-methylpyridine
CID 15765
2-Dimethylaminopyridine
CID 21885
2-Amino-6-(trifluoromethyl)pyridine
CID 821024
(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine
CID 42625452
1,2,6-Trimethylpyridinium iodide
CID 17309
6-Amino-2,3-dimethylpyridine
CID 262484
(6-Methylpyridin-2-yl)thiourea
CID 685983
5-Iodo-6-methylpyridin-2-amine
CID 959613
6-(tert-Butyl)pyridin-2-amine
CID 13494634
6-(Propan-2-yl)pyridin-2-amine
CID 21725596
Ambcb5479914
CID 9585941
1-Cyclohexyl-3-(6-methylpyridin-2-yl)thiourea
CID 2987777

Frequently Asked Questions

What is the IUPAC name of N,N,1,6-tetramethylpyridin-1-ium-2-amine?
The IUPAC name of N,N,1,6-tetramethylpyridin-1-ium-2-amine (CID 23389059) is N,N,1,6-tetramethylpyridin-1-ium-2-amine.
What is the SMILES notation for N,N,1,6-tetramethylpyridin-1-ium-2-amine?
The canonical SMILES for N,N,1,6-tetramethylpyridin-1-ium-2-amine is Cc1cccc(N(C)C)[n+]1C.
What is the InChIKey of N,N,1,6-tetramethylpyridin-1-ium-2-amine?
The InChIKey is HRHZIJXMZCNVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2/c1-8-6-5-7-9(10(2)3)11(8)4/h5-7H,1-4H3/q+1.
What are the key properties of N,N,1,6-tetramethylpyridin-1-ium-2-amine?
N,N,1,6-tetramethylpyridin-1-ium-2-amine has a molecular weight of 151.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,6-tetramethylpyridin-1-ium-2-amine is sourced from PubChem (CID 23389059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).