2,4-ditert-butyl-1,3-dimethylpyrrole

C14H25N — CID 163982541

IUPAC2,4-ditert-butyl-1,3-dimethylpyrrole
SMILESCc1c(C(C)(C)C)cn(C)c1C(C)(C)C
InChIInChI=1S/C14H25N/c1-10-11(13(2,3)4)9-15(8)12(10)14(5,6)7/h9H,1-8H3
InChIKeyKDYMIFOPWKVKQI-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.93
Rot. Bonds

About 2,4-ditert-butyl-1,3-dimethylpyrrole

2,4-ditert-butyl-1,3-dimethylpyrrole (PubChem CID 163982541) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,4-ditert-butyl-1,3-dimethylpyrrole.

Molecular Properties

Compound Name2,4-ditert-butyl-1,3-dimethylpyrrole
PubChem CID163982541
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,4-ditert-butyl-1,3-dimethylpyrrole
SMILESCc1c(C(C)(C)C)cn(C)c1C(C)(C)C
InChIInChI=1S/C14H25N/c1-10-11(13(2,3)4)9-15(8)12(10)14(5,6)7/h9H,1-8H3
InChIKeyKDYMIFOPWKVKQI-UHFFFAOYSA-N
XLogP3.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 153490291
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1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
1,2,4-tritert-butyl-3-methylbenzene
CID 140854295
4-tert-butyl-1,3-dimethylpyrazole;ethane
CID 144507341
4-tert-butyl-2,6-dimethylisoquinolin-1-one
CID 115063422
2-amino-5-tert-butyl-1-methylpyrimidin-4-one
CID 162466530
1,3,4-tritert-butylpyrrole
CID 24977707
[(1E)-1-(3,4-ditert-butyl-1-methylpyrrol-2-yl)buta-1,3-dienyl]phosphane
CID 175618596
1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole
CID 159932555
(5-chloro-1-methylpyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
CID 23046272

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1,3-dimethylpyrrole?
The IUPAC name of 2,4-ditert-butyl-1,3-dimethylpyrrole (CID 163982541) is 2,4-ditert-butyl-1,3-dimethylpyrrole.
What is the SMILES notation for 2,4-ditert-butyl-1,3-dimethylpyrrole?
The canonical SMILES for 2,4-ditert-butyl-1,3-dimethylpyrrole is Cc1c(C(C)(C)C)cn(C)c1C(C)(C)C.
What is the InChIKey of 2,4-ditert-butyl-1,3-dimethylpyrrole?
The InChIKey is KDYMIFOPWKVKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-10-11(13(2,3)4)9-15(8)12(10)14(5,6)7/h9H,1-8H3.
What are the key properties of 2,4-ditert-butyl-1,3-dimethylpyrrole?
2,4-ditert-butyl-1,3-dimethylpyrrole has a molecular weight of 207.36 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1,3-dimethylpyrrole is sourced from PubChem (CID 163982541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).