1-(2-cyclohexylethyl)-2,5-dimethylpyrrole

C14H23N — CID 63404425

IUPAC1-(2-cyclohexylethyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1CCC1CCCCC1
InChIInChI=1S/C14H23N/c1-12-8-9-13(2)15(12)11-10-14-6-4-3-5-7-14/h8-9,14H,3-7,10-11H2,1-2H3
InChIKeyOTGGEHZLZHCASK-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.08
Rot. Bonds3

About 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole

1-(2-cyclohexylethyl)-2,5-dimethylpyrrole (PubChem CID 63404425) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-2,5-dimethylpyrrole
PubChem CID63404425
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(2-cyclohexylethyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1CCC1CCCCC1
InChIInChI=1S/C14H23N/c1-12-8-9-13(2)15(12)11-10-14-6-4-3-5-7-14/h8-9,14H,3-7,10-11H2,1-2H3
InChIKeyOTGGEHZLZHCASK-UHFFFAOYSA-N
XLogP4.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole (CID 63404425) is 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole is Cc1ccc(C)n1CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole?
The InChIKey is OTGGEHZLZHCASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-12-8-9-13(2)15(12)11-10-14-6-4-3-5-7-14/h8-9,14H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole?
1-(2-cyclohexylethyl)-2,5-dimethylpyrrole has a molecular weight of 205.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 63404425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).