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

C22H36N2 — CID 10806203

IUPAC5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole
SMILESCCC(C)(C1=CC(C)(C)C(C)=N1)C(C)(CC)C1=CC(C)(C)C(C)=N1
InChIInChI=1S/C22H36N2/c1-11-21(9,17-13-19(5,6)15(3)23-17)22(10,12-2)18-14-20(7,8)16(4)24-18/h13-14H,11-12H2,1-10H3
InChIKeyDSJRPKJSFHYXAE-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.59
Rot. Bonds5

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

5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole (PubChem CID 10806203) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole.

Molecular Properties

Compound Name5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole
PubChem CID10806203
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole
SMILESCCC(C)(C1=CC(C)(C)C(C)=N1)C(C)(CC)C1=CC(C)(C)C(C)=N1
InChIInChI=1S/C22H36N2/c1-11-21(9,17-13-19(5,6)15(3)23-17)22(10,12-2)18-14-20(7,8)16(4)24-18/h13-14H,11-12H2,1-10H3
InChIKeyDSJRPKJSFHYXAE-UHFFFAOYSA-N
XLogP6.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

5-methyl-2-propan-2-yl-3,4-dihydropyrrol-4-ide;ruthenium(1+);4,4,5,5-tetramethyl-2-propan-2-yl-3H-pyrrole
CID 160618928
5-[2,3-Dimethyl-3-(4,4,5-trimethylpyrrol-2-yl)butan-2-yl]-2,3,3-trimethylpyrrole
CID 10637986

Frequently Asked Questions

What is the IUPAC name of 5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole?
The IUPAC name of 5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole (CID 10806203) is 5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole.
What is the SMILES notation for 5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole?
The canonical SMILES for 5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole is CCC(C)(C1=CC(C)(C)C(C)=N1)C(C)(CC)C1=CC(C)(C)C(C)=N1.
What is the InChIKey of 5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole?
The InChIKey is DSJRPKJSFHYXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2/c1-11-21(9,17-13-19(5,6)15(3)23-17)22(10,12-2)18-14-20(7,8)16(4)24-18/h13-14H,11-12H2,1-10H3.
What are the key properties of 5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole?
5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole has a molecular weight of 328.54 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-dimethyl-4-(4,4,5-trimethylpyrrol-2-yl)hexan-3-yl]-2,3,3-trimethylpyrrole is sourced from PubChem (CID 10806203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).