2-ethyl-2-hexan-2-ylpyrrole

C12H21N — CID 90955291

IUPAC2-ethyl-2-hexan-2-ylpyrrole
SMILESCCCCC(C)C1(CC)C=CC=N1
InChIInChI=1S/C12H21N/c1-4-6-8-11(3)12(5-2)9-7-10-13-12/h7,9-11H,4-6,8H2,1-3H3
InChIKeyCPYFFSJGCUTFEY-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.60
Rot. Bonds5

About 2-ethyl-2-hexan-2-ylpyrrole

2-ethyl-2-hexan-2-ylpyrrole (PubChem CID 90955291) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-ethyl-2-hexan-2-ylpyrrole.

Molecular Properties

Compound Name2-ethyl-2-hexan-2-ylpyrrole
PubChem CID90955291
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-ethyl-2-hexan-2-ylpyrrole
SMILESCCCCC(C)C1(CC)C=CC=N1
InChIInChI=1S/C12H21N/c1-4-6-8-11(3)12(5-2)9-7-10-13-12/h7,9-11H,4-6,8H2,1-3H3
InChIKeyCPYFFSJGCUTFEY-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 129871589
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6-(2-Hexylpyrrol-2-yl)hexan-1-amine
CID 57022325
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
CID 57035322
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
CID 57138741
2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046
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CID 57206465

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hexan-2-ylpyrrole?
The IUPAC name of 2-ethyl-2-hexan-2-ylpyrrole (CID 90955291) is 2-ethyl-2-hexan-2-ylpyrrole.
What is the SMILES notation for 2-ethyl-2-hexan-2-ylpyrrole?
The canonical SMILES for 2-ethyl-2-hexan-2-ylpyrrole is CCCCC(C)C1(CC)C=CC=N1.
What is the InChIKey of 2-ethyl-2-hexan-2-ylpyrrole?
The InChIKey is CPYFFSJGCUTFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-6-8-11(3)12(5-2)9-7-10-13-12/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 2-ethyl-2-hexan-2-ylpyrrole?
2-ethyl-2-hexan-2-ylpyrrole has a molecular weight of 179.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hexan-2-ylpyrrole is sourced from PubChem (CID 90955291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).