2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene

C31H54N4OS — CID 159207932

IUPAC2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene
SMILESCC1CCN(C)CC1.CN1CCN(C)CC1.Cc1ccc(C)[nH]1.Cc1ccc(C)o1.Cc1ccc(C)s1
InChIInChI=1S/C7H15N.C6H14N2.C6H9N.C6H8O.C6H8S/c2*1-7-3-5-8(2)6-4-7;3*1-5-3-4-6(2)7-5/h7H,3-6H2,1-2H3;3-6H2,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3
InChIKeyKQCRSIHZFMGJAQ-UHFFFAOYSA-N
MW530.87 g/mol
LogP7.10
Rot. Bonds

About 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene

2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene (PubChem CID 159207932) has the molecular formula C31H54N4OS and a molecular weight of 530.87 g/mol. Its IUPAC name is 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene.

Molecular Properties

Compound Name2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene
PubChem CID159207932
Molecular FormulaC31H54N4OS
Molecular Weight530.87 g/mol
Exact Mass530.40
IUPAC Name2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene
SMILESCC1CCN(C)CC1.CN1CCN(C)CC1.Cc1ccc(C)[nH]1.Cc1ccc(C)o1.Cc1ccc(C)s1
InChIInChI=1S/C7H15N.C6H14N2.C6H9N.C6H8O.C6H8S/c2*1-7-3-5-8(2)6-4-7;3*1-5-3-4-6(2)7-5/h7H,3-6H2,1-2H3;3-6H2,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3
InChIKeyKQCRSIHZFMGJAQ-UHFFFAOYSA-N
XLogP7.10
TPSA38.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.87
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene?
The IUPAC name of 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene (CID 159207932) is 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene.
What is the SMILES notation for 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene?
The canonical SMILES for 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene is CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1ccc(C)[nH]1.Cc1ccc(C)o1.Cc1ccc(C)s1.
What is the InChIKey of 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene?
The InChIKey is KQCRSIHZFMGJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H14N2.C6H9N.C6H8O.C6H8S/c2*1-7-3-5-8(2)6-4-7;3*1-5-3-4-6(2)7-5/h7H,3-6H2,1-2H3;3-6H2,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene?
2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene has a molecular weight of 530.87 g/mol, XLogP of 7.10, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene is sourced from PubChem (CID 159207932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).