1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride

C7H14ClN2+ — CID 19809466

IUPAC1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride
SMILESC[N+]1(C)C=CC(N)=CC1.Cl
InChIInChI=1S/C7H13N2.ClH/c1-9(2)5-3-7(8)4-6-9;/h3-5H,6,8H2,1-2H3;1H/q+1;
InChIKeyAYYROWKNFMUMLB-UHFFFAOYSA-N
MW161.66 g/mol
LogP0.85
Rot. Bonds

About 1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride

1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride (PubChem CID 19809466) has the molecular formula C7H14ClN2+ and a molecular weight of 161.66 g/mol. Its IUPAC name is 1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride
PubChem CID19809466
Molecular FormulaC7H14ClN2+
Molecular Weight161.66 g/mol
Exact Mass161.08
IUPAC Name1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride
SMILESC[N+]1(C)C=CC(N)=CC1.Cl
InChIInChI=1S/C7H13N2.ClH/c1-9(2)5-3-7(8)4-6-9;/h3-5H,6,8H2,1-2H3;1H/q+1;
InChIKeyAYYROWKNFMUMLB-UHFFFAOYSA-N
XLogP0.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 50.85
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-4-amine;hydrochloride?
The IUPAC name of 1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride (CID 19809466) is 1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride.
What is the SMILES notation for 1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride?
The canonical SMILES for 1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride is C[N+]1(C)C=CC(N)=CC1.Cl.
What is the InChIKey of 1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride?
The InChIKey is AYYROWKNFMUMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2.ClH/c1-9(2)5-3-7(8)4-6-9;/h3-5H,6,8H2,1-2H3;1H/q+1;.
What are the key properties of 1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride?
1,1-dimethyl-2H-pyridin-1-ium-4-amine;hydrochloride has a molecular weight of 161.66 g/mol, XLogP of 0.85, 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-4-amine;hydrochloride is sourced from PubChem (CID 19809466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).