ethane;4-propan-2-ylpyridin-1-ium

C12H24N+ — CID 143469186

IUPACethane;4-propan-2-ylpyridin-1-ium
SMILESCC.CC.CC(C)c1cc[nH+]cc1
InChIInChI=1S/C8H11N.2C2H6/c1-7(2)8-3-5-9-6-4-8;2*1-2/h3-7H,1-2H3;2*1-2H3/p+1
InChIKeyNHPBLFVECCVCBB-UHFFFAOYSA-O
MW182.33 g/mol
LogP3.68
Rot. Bonds1

About ethane;4-propan-2-ylpyridin-1-ium

ethane;4-propan-2-ylpyridin-1-ium (PubChem CID 143469186) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is ethane;4-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Nameethane;4-propan-2-ylpyridin-1-ium
PubChem CID143469186
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Nameethane;4-propan-2-ylpyridin-1-ium
SMILESCC.CC.CC(C)c1cc[nH+]cc1
InChIInChI=1S/C8H11N.2C2H6/c1-7(2)8-3-5-9-6-4-8;2*1-2/h3-7H,1-2H3;2*1-2H3/p+1
InChIKeyNHPBLFVECCVCBB-UHFFFAOYSA-O
XLogP3.68
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylpyridin-1-ium?
The IUPAC name of ethane;4-propan-2-ylpyridin-1-ium (CID 143469186) is ethane;4-propan-2-ylpyridin-1-ium.
What is the SMILES notation for ethane;4-propan-2-ylpyridin-1-ium?
The canonical SMILES for ethane;4-propan-2-ylpyridin-1-ium is CC.CC.CC(C)c1cc[nH+]cc1.
What is the InChIKey of ethane;4-propan-2-ylpyridin-1-ium?
The InChIKey is NHPBLFVECCVCBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N.2C2H6/c1-7(2)8-3-5-9-6-4-8;2*1-2/h3-7H,1-2H3;2*1-2H3/p+1.
What are the key properties of ethane;4-propan-2-ylpyridin-1-ium?
ethane;4-propan-2-ylpyridin-1-ium has a molecular weight of 182.33 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 143469186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).