1,1-dimethyl-2H-pyridin-1-ium-6-amine

C7H13N2+ — CID 22058799

IUPAC1,1-dimethyl-2H-pyridin-1-ium-6-amine
SMILESC[N+]1(C)CC=CC=C1N
InChIInChI=1S/C7H13N2/c1-9(2)6-4-3-5-7(9)8/h3-5H,6,8H2,1-2H3/q+1
InChIKeyPFDZRFLCTYBQKJ-UHFFFAOYSA-N
MW125.19 g/mol
LogP0.43
Rot. Bonds

About 1,1-dimethyl-2H-pyridin-1-ium-6-amine

1,1-dimethyl-2H-pyridin-1-ium-6-amine (PubChem CID 22058799) has the molecular formula C7H13N2+ and a molecular weight of 125.19 g/mol. Its IUPAC name is 1,1-dimethyl-2H-pyridin-1-ium-6-amine.

Molecular Properties

Compound Name1,1-dimethyl-2H-pyridin-1-ium-6-amine
PubChem CID22058799
Molecular FormulaC7H13N2+
Molecular Weight125.19 g/mol
Exact Mass125.11
IUPAC Name1,1-dimethyl-2H-pyridin-1-ium-6-amine
SMILESC[N+]1(C)CC=CC=C1N
InChIInChI=1S/C7H13N2/c1-9(2)6-4-3-5-7(9)8/h3-5H,6,8H2,1-2H3/q+1
InChIKeyPFDZRFLCTYBQKJ-UHFFFAOYSA-N
XLogP0.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2H-pyridin-1-ium-6-amine?
The IUPAC name of 1,1-dimethyl-2H-pyridin-1-ium-6-amine (CID 22058799) is 1,1-dimethyl-2H-pyridin-1-ium-6-amine.
What is the SMILES notation for 1,1-dimethyl-2H-pyridin-1-ium-6-amine?
The canonical SMILES for 1,1-dimethyl-2H-pyridin-1-ium-6-amine is C[N+]1(C)CC=CC=C1N.
What is the InChIKey of 1,1-dimethyl-2H-pyridin-1-ium-6-amine?
The InChIKey is PFDZRFLCTYBQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2/c1-9(2)6-4-3-5-7(9)8/h3-5H,6,8H2,1-2H3/q+1.
What are the key properties of 1,1-dimethyl-2H-pyridin-1-ium-6-amine?
1,1-dimethyl-2H-pyridin-1-ium-6-amine has a molecular weight of 125.19 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2H-pyridin-1-ium-6-amine is sourced from PubChem (CID 22058799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).