N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine

C9H17N2+ — CID 57293908

IUPACN,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine
SMILESCN(C)C1=CC[N+](C)(C)C=C1
InChIInChI=1S/C9H17N2/c1-10(2)9-5-7-11(3,4)8-6-9/h5-7H,8H2,1-4H3/q+1
InChIKeyRXVPSGBCTXTTKT-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.04
Rot. Bonds1

About N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine

N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine (PubChem CID 57293908) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine.

Molecular Properties

Compound NameN,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine
PubChem CID57293908
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC NameN,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine
SMILESCN(C)C1=CC[N+](C)(C)C=C1
InChIInChI=1S/C9H17N2/c1-10(2)9-5-7-11(3,4)8-6-9/h5-7H,8H2,1-4H3/q+1
InChIKeyRXVPSGBCTXTTKT-UHFFFAOYSA-N
XLogP1.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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N-methyl-2-methylidenepyridine
CID 14963017
1-Cyano-4-dimethylaminopyridine
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N-isopropylpyridine
CID 18505181
4-Amino-1-methylpyridine
CID 19022584
6-ethenyl-1-methyl-2H-pyridine
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1-Butyl-4-(dimethylamino)pyridine
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Frequently Asked Questions

What is the IUPAC name of N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine?
The IUPAC name of N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine (CID 57293908) is N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine.
What is the SMILES notation for N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine?
The canonical SMILES for N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine is CN(C)C1=CC[N+](C)(C)C=C1.
What is the InChIKey of N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine?
The InChIKey is RXVPSGBCTXTTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-10(2)9-5-7-11(3,4)8-6-9/h5-7H,8H2,1-4H3/q+1.
What are the key properties of N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine?
N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine has a molecular weight of 153.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1-tetramethyl-2H-pyridin-1-ium-4-amine is sourced from PubChem (CID 57293908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).