1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate

C8H13ClN2O5 — CID 171383861

IUPAC1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate
SMILESCO[n+]1ccc(N(C)C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H13N2O.ClHO4/c1-9(2)8-4-6-10(11-3)7-5-8;2-1(3,4)5/h4-7H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyMJPARJRLOBFUTQ-UHFFFAOYSA-M
MW252.65 g/mol
LogP-4.66
Rot. Bonds2

About 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate

1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate (PubChem CID 171383861) has the molecular formula C8H13ClN2O5 and a molecular weight of 252.65 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate.

Molecular Properties

Compound Name1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate
PubChem CID171383861
Molecular FormulaC8H13ClN2O5
Molecular Weight252.65 g/mol
Exact Mass252.05
IUPAC Name1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate
SMILESCO[n+]1ccc(N(C)C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H13N2O.ClHO4/c1-9(2)8-4-6-10(11-3)7-5-8;2-1(3,4)5/h4-7H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyMJPARJRLOBFUTQ-UHFFFAOYSA-M
XLogP-4.66
TPSA108.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 5-4.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate?
The IUPAC name of 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate (CID 171383861) is 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate.
What is the SMILES notation for 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate?
The canonical SMILES for 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate is CO[n+]1ccc(N(C)C)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate?
The InChIKey is MJPARJRLOBFUTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13N2O.ClHO4/c1-9(2)8-4-6-10(11-3)7-5-8;2-1(3,4)5/h4-7H,1-3H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate?
1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate has a molecular weight of 252.65 g/mol, XLogP of -4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethylpyridin-1-ium-4-amine perchlorate is sourced from PubChem (CID 171383861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).