1-butyl-2,4-diethyl-3-propylpyrrole

C15H27N — CID 10609028

IUPAC1-butyl-2,4-diethyl-3-propylpyrrole
SMILESCCCCn1cc(CC)c(CCC)c1CC
InChIInChI=1S/C15H27N/c1-5-9-11-16-12-13(7-3)14(10-6-2)15(16)8-4/h12H,5-11H2,1-4H3
InChIKeyAIBOKYYMIHEDFC-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.37
Rot. Bonds7

About 1-butyl-2,4-diethyl-3-propylpyrrole

1-butyl-2,4-diethyl-3-propylpyrrole (PubChem CID 10609028) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-butyl-2,4-diethyl-3-propylpyrrole.

Molecular Properties

Compound Name1-butyl-2,4-diethyl-3-propylpyrrole
PubChem CID10609028
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-butyl-2,4-diethyl-3-propylpyrrole
SMILESCCCCn1cc(CC)c(CCC)c1CC
InChIInChI=1S/C15H27N/c1-5-9-11-16-12-13(7-3)14(10-6-2)15(16)8-4/h12H,5-11H2,1-4H3
InChIKeyAIBOKYYMIHEDFC-UHFFFAOYSA-N
XLogP4.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione
CID 71396175
1-ethyl-3-pentyl-2-propylbenzene
CID 173025863
ethyl 2-(1-butyl-4-ethylpyrrol-2-yl)acetate
CID 18424353
1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one
CID 70951226
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
CID 66328161
2-ethyl-1-pentylpyrrole-3-carboxylic acid
CID 84618050
1,3-dibutyl-6-methylindole-7-carboxylic acid
CID 83946379
5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione
CID 66327971
3-ethyl-6-fluoro-1-pentylindole
CID 143347565
1-butyl-3,5-dimethylpyridin-2-one
CID 13169253
4-butyl-5-ethyl-2-methyl-3-propylpyridine
CID 144533680

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,4-diethyl-3-propylpyrrole?
The IUPAC name of 1-butyl-2,4-diethyl-3-propylpyrrole (CID 10609028) is 1-butyl-2,4-diethyl-3-propylpyrrole.
What is the SMILES notation for 1-butyl-2,4-diethyl-3-propylpyrrole?
The canonical SMILES for 1-butyl-2,4-diethyl-3-propylpyrrole is CCCCn1cc(CC)c(CCC)c1CC.
What is the InChIKey of 1-butyl-2,4-diethyl-3-propylpyrrole?
The InChIKey is AIBOKYYMIHEDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-5-9-11-16-12-13(7-3)14(10-6-2)15(16)8-4/h12H,5-11H2,1-4H3.
What are the key properties of 1-butyl-2,4-diethyl-3-propylpyrrole?
1-butyl-2,4-diethyl-3-propylpyrrole has a molecular weight of 221.39 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,4-diethyl-3-propylpyrrole is sourced from PubChem (CID 10609028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).