2-(3-methylbutan-2-yl)-2-propylpyrrole

C12H21N — CID 91336188

IUPAC2-(3-methylbutan-2-yl)-2-propylpyrrole
SMILESCCCC1(C(C)C(C)C)C=CC=N1
InChIInChI=1S/C12H21N/c1-5-7-12(8-6-9-13-12)11(4)10(2)3/h6,8-11H,5,7H2,1-4H3
InChIKeyNTWJXPGTGLWHJH-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-methylbutan-2-yl)-2-propylpyrrole

2-(3-methylbutan-2-yl)-2-propylpyrrole (PubChem CID 91336188) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)-2-propylpyrrole.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)-2-propylpyrrole
PubChem CID91336188
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-(3-methylbutan-2-yl)-2-propylpyrrole
SMILESCCCC1(C(C)C(C)C)C=CC=N1
InChIInChI=1S/C12H21N/c1-5-7-12(8-6-9-13-12)11(4)10(2)3/h6,8-11H,5,7H2,1-4H3
InChIKeyNTWJXPGTGLWHJH-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanespiropyrrole
CID 129871589
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
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
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)-2-propylpyrrole?
The IUPAC name of 2-(3-methylbutan-2-yl)-2-propylpyrrole (CID 91336188) is 2-(3-methylbutan-2-yl)-2-propylpyrrole.
What is the SMILES notation for 2-(3-methylbutan-2-yl)-2-propylpyrrole?
The canonical SMILES for 2-(3-methylbutan-2-yl)-2-propylpyrrole is CCCC1(C(C)C(C)C)C=CC=N1.
What is the InChIKey of 2-(3-methylbutan-2-yl)-2-propylpyrrole?
The InChIKey is NTWJXPGTGLWHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-12(8-6-9-13-12)11(4)10(2)3/h6,8-11H,5,7H2,1-4H3.
What are the key properties of 2-(3-methylbutan-2-yl)-2-propylpyrrole?
2-(3-methylbutan-2-yl)-2-propylpyrrole has a molecular weight of 179.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)-2-propylpyrrole is sourced from PubChem (CID 91336188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).