5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole

C20H32N2 — CID 10637986

IUPAC5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole
SMILESCC1=NC(C(C)(C)C(C)(C)C2=CC(C)(C)C(C)=N2)=CC1(C)C
InChIInChI=1S/C20H32N2/c1-13-17(3,4)11-15(21-13)19(7,8)20(9,10)16-12-18(5,6)14(2)22-16/h11-12H,1-10H3
InChIKeyPVEILYISYVSKHJ-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.81
Rot. Bonds3

About 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole

5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole (PubChem CID 10637986) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole.

Molecular Properties

Compound Name5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole
PubChem CID10637986
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole
SMILESCC1=NC(C(C)(C)C(C)(C)C2=CC(C)(C)C(C)=N2)=CC1(C)C
InChIInChI=1S/C20H32N2/c1-13-17(3,4)11-15(21-13)19(7,8)20(9,10)16-12-18(5,6)14(2)22-16/h11-12H,1-10H3
InChIKeyPVEILYISYVSKHJ-UHFFFAOYSA-N
XLogP5.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole with MolForge

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Related Compounds

5-(2,2-dimethylpropyl)-2-methyl-3H-pyrrole
CID 68011810
N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine
CID 155373883
N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine
CID 170380691
5-Butan-2-yl-2,3,3-trimethylpyrrole
CID 10558985
5-[3,4-Dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole
CID 10806203

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole?
The IUPAC name of 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole (CID 10637986) is 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole.
What is the SMILES notation for 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole?
The canonical SMILES for 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole is CC1=NC(C(C)(C)C(C)(C)C2=CC(C)(C)C(C)=N2)=CC1(C)C.
What is the InChIKey of 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole?
The InChIKey is PVEILYISYVSKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-13-17(3,4)11-15(21-13)19(7,8)20(9,10)16-12-18(5,6)14(2)22-16/h11-12H,1-10H3.
What are the key properties of 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole?
5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole has a molecular weight of 300.49 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole is sourced from PubChem (CID 10637986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).