1-(3,5-dimethylcyclohexyl)pyrrole

C12H19N — CID 64729748

IUPAC1-(3,5-dimethylcyclohexyl)pyrrole
SMILESCC1CC(C)CC(n2cccc2)C1
InChIInChI=1S/C12H19N/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-13/h3-6,10-12H,7-9H2,1-2H3
InChIKeyBKZIBZYIYJLCKC-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.49
Rot. Bonds1

About 1-(3,5-dimethylcyclohexyl)pyrrole

1-(3,5-dimethylcyclohexyl)pyrrole (PubChem CID 64729748) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)pyrrole.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)pyrrole
PubChem CID64729748
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(3,5-dimethylcyclohexyl)pyrrole
SMILESCC1CC(C)CC(n2cccc2)C1
InChIInChI=1S/C12H19N/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-13/h3-6,10-12H,7-9H2,1-2H3
InChIKeyBKZIBZYIYJLCKC-UHFFFAOYSA-N
XLogP3.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcyclohexyl)pyrrole
CID 2100892
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane
CID 91398120
1-cyclobutylpyrrole
CID 62414622
7-methyl-9-azatricyclo[3.3.1.03,9]nonane
CID 59882553
1-(3,3,5,5-tetramethylcyclohexyl)pyrrole
CID 103968243
3-pyrrol-1-ylcyclopentan-1-amine
CID 82417438
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane
CID 129155559
(3S)-1-(3,5-dimethylcyclohexyl)pyrrolidin-3-ol
CID 79031190
(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)phosphane
CID 145265766
4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole
CID 79785555
formonitrile;1,3,5-trimethylcyclohexane
CID 174384733

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)pyrrole?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)pyrrole (CID 64729748) is 1-(3,5-dimethylcyclohexyl)pyrrole.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)pyrrole?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)pyrrole is CC1CC(C)CC(n2cccc2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)pyrrole?
The InChIKey is BKZIBZYIYJLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-13/h3-6,10-12H,7-9H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)pyrrole?
1-(3,5-dimethylcyclohexyl)pyrrole has a molecular weight of 177.29 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)pyrrole is sourced from PubChem (CID 64729748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).