1-butyl-1-methyl-2H-pyridin-1-ium

C10H18N+ — CID 19979782

IUPAC1-butyl-1-methyl-2H-pyridin-1-ium
SMILESCCCC[N+]1(C)C=CC=CC1
InChIInChI=1S/C10H18N/c1-3-4-8-11(2)9-6-5-7-10-11/h5-7,9H,3-4,8,10H2,1-2H3/q+1
InChIKeyGVZVRVQZVYBAFU-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.32
Rot. Bonds3

About 1-butyl-1-methyl-2H-pyridin-1-ium

1-butyl-1-methyl-2H-pyridin-1-ium (PubChem CID 19979782) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 1-butyl-1-methyl-2H-pyridin-1-ium.

Molecular Properties

Compound Name1-butyl-1-methyl-2H-pyridin-1-ium
PubChem CID19979782
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name1-butyl-1-methyl-2H-pyridin-1-ium
SMILESCCCC[N+]1(C)C=CC=CC1
InChIInChI=1S/C10H18N/c1-3-4-8-11(2)9-6-5-7-10-11/h5-7,9H,3-4,8,10H2,1-2H3/q+1
InChIKeyGVZVRVQZVYBAFU-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-butyl-1-methyl-2H-pyridin-1-ium?
The IUPAC name of 1-butyl-1-methyl-2H-pyridin-1-ium (CID 19979782) is 1-butyl-1-methyl-2H-pyridin-1-ium.
What is the SMILES notation for 1-butyl-1-methyl-2H-pyridin-1-ium?
The canonical SMILES for 1-butyl-1-methyl-2H-pyridin-1-ium is CCCC[N+]1(C)C=CC=CC1.
What is the InChIKey of 1-butyl-1-methyl-2H-pyridin-1-ium?
The InChIKey is GVZVRVQZVYBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-3-4-8-11(2)9-6-5-7-10-11/h5-7,9H,3-4,8,10H2,1-2H3/q+1.
What are the key properties of 1-butyl-1-methyl-2H-pyridin-1-ium?
1-butyl-1-methyl-2H-pyridin-1-ium has a molecular weight of 152.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methyl-2H-pyridin-1-ium is sourced from PubChem (CID 19979782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).