2-methylpropane;1-methylpyridin-1-ium

C10H18N+ — CID 161367015

IUPAC2-methylpropane;1-methylpyridin-1-ium
SMILESCC(C)C.C[n+]1ccccc1
InChIInChI=1S/C6H8N.C4H10/c1-7-5-3-2-4-6-7;1-4(2)3/h2-6H,1H3;4H,1-3H3/q+1;
InChIKeyVPYFCHYSGPAKJN-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.17
Rot. Bonds

About 2-methylpropane;1-methylpyridin-1-ium

2-methylpropane;1-methylpyridin-1-ium (PubChem CID 161367015) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 2-methylpropane;1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-methylpropane;1-methylpyridin-1-ium
PubChem CID161367015
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name2-methylpropane;1-methylpyridin-1-ium
SMILESCC(C)C.C[n+]1ccccc1
InChIInChI=1S/C6H8N.C4H10/c1-7-5-3-2-4-6-7;1-4(2)3/h2-6H,1H3;4H,1-3H3/q+1;
InChIKeyVPYFCHYSGPAKJN-UHFFFAOYSA-N
XLogP2.17
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)
CID 23103331
1-methylpyridin-1-ium;sulfuric acid
CID 67146058
benzene;bis(2-methylpropane)
CID 158864478
tris(1-ethylpyridin-1-ium);tris(1-methylpyridin-1-ium)
CID 160797453
1-ethylpyridin-1-ium;1-methylpyridin-1-ium
CID 160508395
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)
CID 173063507
ethane;bis(1-methylpyridin-1-ium);acetate
CID 159228977
CID 159756489
CID 159756489
methane;1-methylpyridin-1-ium;2-methylpyrimidine
CID 162117195

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;1-methylpyridin-1-ium?
The IUPAC name of 2-methylpropane;1-methylpyridin-1-ium (CID 161367015) is 2-methylpropane;1-methylpyridin-1-ium.
What is the SMILES notation for 2-methylpropane;1-methylpyridin-1-ium?
The canonical SMILES for 2-methylpropane;1-methylpyridin-1-ium is CC(C)C.C[n+]1ccccc1.
What is the InChIKey of 2-methylpropane;1-methylpyridin-1-ium?
The InChIKey is VPYFCHYSGPAKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.C4H10/c1-7-5-3-2-4-6-7;1-4(2)3/h2-6H,1H3;4H,1-3H3/q+1;.
What are the key properties of 2-methylpropane;1-methylpyridin-1-ium?
2-methylpropane;1-methylpyridin-1-ium has a molecular weight of 152.26 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;1-methylpyridin-1-ium is sourced from PubChem (CID 161367015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).