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

C15H25N — CID 141258361

IUPAC1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole
SMILESCC1(C)CC(C)(C)CC(C)(n2cccc2)C1
InChIInChI=1S/C15H25N/c1-13(2)10-14(3,4)12-15(5,11-13)16-8-6-7-9-16/h6-9H,10-12H2,1-5H3
InChIKeyPKQKCRNJJOTGBO-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.44
Rot. Bonds1

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

1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole (PubChem CID 141258361) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole.

Molecular Properties

Compound Name1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole
PubChem CID141258361
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole
SMILESCC1(C)CC(C)(C)CC(C)(n2cccc2)C1
InChIInChI=1S/C15H25N/c1-13(2)10-14(3,4)12-15(5,11-13)16-8-6-7-9-16/h6-9H,10-12H2,1-5H3
InChIKeyPKQKCRNJJOTGBO-UHFFFAOYSA-N
XLogP4.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole?
The IUPAC name of 1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole (CID 141258361) is 1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole.
What is the SMILES notation for 1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole?
The canonical SMILES for 1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole is CC1(C)CC(C)(C)CC(C)(n2cccc2)C1.
What is the InChIKey of 1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole?
The InChIKey is PKQKCRNJJOTGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-13(2)10-14(3,4)12-15(5,11-13)16-8-6-7-9-16/h6-9H,10-12H2,1-5H3.
What are the key properties of 1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole?
1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole has a molecular weight of 219.37 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3,5,5-pentamethylcyclohexyl)pyrrole is sourced from PubChem (CID 141258361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).