N,1,1-trimethyl-2H-pyridin-1-ium-6-amine

C8H15N2+ — CID 56612487

IUPACN,1,1-trimethyl-2H-pyridin-1-ium-6-amine
SMILESCNC1=CC=CC[N+]1(C)C
InChIInChI=1S/C8H15N2/c1-9-8-6-4-5-7-10(8,2)3/h4-6,9H,7H2,1-3H3/q+1
InChIKeyVZWMRIXINAOZCW-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.69
Rot. Bonds1

About N,1,1-trimethyl-2H-pyridin-1-ium-6-amine

N,1,1-trimethyl-2H-pyridin-1-ium-6-amine (PubChem CID 56612487) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is N,1,1-trimethyl-2H-pyridin-1-ium-6-amine.

Molecular Properties

Compound NameN,1,1-trimethyl-2H-pyridin-1-ium-6-amine
PubChem CID56612487
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC NameN,1,1-trimethyl-2H-pyridin-1-ium-6-amine
SMILESCNC1=CC=CC[N+]1(C)C
InChIInChI=1S/C8H15N2/c1-9-8-6-4-5-7-10(8,2)3/h4-6,9H,7H2,1-3H3/q+1
InChIKeyVZWMRIXINAOZCW-UHFFFAOYSA-N
XLogP0.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-2-aminopyridine
CID 67696353
Methyltetrahydropyrimidinamin
CID 129646687
Tetra-hydropyrido[1,2-a][1,3,5]triazine
CID 129792315
3-fluoro-1-prop-1-enyl-2H-pyridin-2-amine
CID 141446633
3-fluoro-N-methyl-1,2-dihydropyridin-2-amine
CID 173058094
N-allylazepin-2-amine
CID 162393129
3,5-difluoro-N,1-dimethyl-2H-pyridin-6-amine
CID 144864764
6-fluoro-N-methyl-1,2-dihydropyridin-2-amine
CID 177006222
1-methyl-2H-pyridin-2-amine
CID 415070
1,2-Dihydropyridin-6-amine
CID 421843
1,8a-Dihydroimidazo[1,2-a]pyridin-2-amine
CID 18338515
2H-pyridin-1-ylmethanamine
CID 18925848

Frequently Asked Questions

What is the IUPAC name of N,1,1-trimethyl-2H-pyridin-1-ium-6-amine?
The IUPAC name of N,1,1-trimethyl-2H-pyridin-1-ium-6-amine (CID 56612487) is N,1,1-trimethyl-2H-pyridin-1-ium-6-amine.
What is the SMILES notation for N,1,1-trimethyl-2H-pyridin-1-ium-6-amine?
The canonical SMILES for N,1,1-trimethyl-2H-pyridin-1-ium-6-amine is CNC1=CC=CC[N+]1(C)C.
What is the InChIKey of N,1,1-trimethyl-2H-pyridin-1-ium-6-amine?
The InChIKey is VZWMRIXINAOZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-9-8-6-4-5-7-10(8,2)3/h4-6,9H,7H2,1-3H3/q+1.
What are the key properties of N,1,1-trimethyl-2H-pyridin-1-ium-6-amine?
N,1,1-trimethyl-2H-pyridin-1-ium-6-amine has a molecular weight of 139.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1-trimethyl-2H-pyridin-1-ium-6-amine is sourced from PubChem (CID 56612487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).