2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole

C13H23N — CID 91051118

IUPAC2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole
SMILESCCCC1(C(C)C(C)(C)C)C=CC=N1
InChIInChI=1S/C13H23N/c1-6-8-13(9-7-10-14-13)11(2)12(3,4)5/h7,9-11H,6,8H2,1-5H3
InChIKeyIHDUFIHTRBFRPW-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds3

About 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole

2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole (PubChem CID 91051118) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole
PubChem CID91051118
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole
SMILESCCCC1(C(C)C(C)(C)C)C=CC=N1
InChIInChI=1S/C13H23N/c1-6-8-13(9-7-10-14-13)11(2)12(3,4)5/h7,9-11H,6,8H2,1-5H3
InChIKeyIHDUFIHTRBFRPW-UHFFFAOYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
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
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629
5-(2-Methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile
CID 57259313
2-Propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
CID 57272584

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole (CID 91051118) is 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole is CCCC1(C(C)C(C)(C)C)C=CC=N1.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole?
The InChIKey is IHDUFIHTRBFRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-6-8-13(9-7-10-14-13)11(2)12(3,4)5/h7,9-11H,6,8H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole?
2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yl)-2-propylpyrrole is sourced from PubChem (CID 91051118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).