1-(3,3,5,5-tetramethylcyclohexyl)pyrrole

C14H23N — CID 103968243

IUPAC1-(3,3,5,5-tetramethylcyclohexyl)pyrrole
SMILESCC1(C)CC(n2cccc2)CC(C)(C)C1
InChIInChI=1S/C14H23N/c1-13(2)9-12(10-14(3,4)11-13)15-7-5-6-8-15/h5-8,12H,9-11H2,1-4H3
InChIKeyBIAZFHWCFJUNCK-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.27
Rot. Bonds1

About 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole

1-(3,3,5,5-tetramethylcyclohexyl)pyrrole (PubChem CID 103968243) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole.

Molecular Properties

Compound Name1-(3,3,5,5-tetramethylcyclohexyl)pyrrole
PubChem CID103968243
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(3,3,5,5-tetramethylcyclohexyl)pyrrole
SMILESCC1(C)CC(n2cccc2)CC(C)(C)C1
InChIInChI=1S/C14H23N/c1-13(2)9-12(10-14(3,4)11-13)15-7-5-6-8-15/h5-8,12H,9-11H2,1-4H3
InChIKeyBIAZFHWCFJUNCK-UHFFFAOYSA-N
XLogP4.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole?
The IUPAC name of 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole (CID 103968243) is 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole.
What is the SMILES notation for 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole?
The canonical SMILES for 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole is CC1(C)CC(n2cccc2)CC(C)(C)C1.
What is the InChIKey of 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole?
The InChIKey is BIAZFHWCFJUNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-13(2)9-12(10-14(3,4)11-13)15-7-5-6-8-15/h5-8,12H,9-11H2,1-4H3.
What are the key properties of 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole?
1-(3,3,5,5-tetramethylcyclohexyl)pyrrole has a molecular weight of 205.34 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5,5-tetramethylcyclohexyl)pyrrole is sourced from PubChem (CID 103968243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).