4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C15H28N2 — CID 66209662

IUPAC4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C1CCC(C)CC1
InChIInChI=1S/C15H28N2/c1-3-15-14-9-16-8-12(14)10-17(15)13-6-4-11(2)5-7-13/h11-16H,3-10H2,1-2H3
InChIKeyAQCCUOFYDRRJRK-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.49
Rot. Bonds2

About 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209662) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209662
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C1CCC(C)CC1
InChIInChI=1S/C15H28N2/c1-3-15-14-9-16-8-12(14)10-17(15)13-6-4-11(2)5-7-13/h11-16H,3-10H2,1-2H3
InChIKeyAQCCUOFYDRRJRK-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209662) is 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1C1CCC(C)CC1.
What is the InChIKey of 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is AQCCUOFYDRRJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-15-14-9-16-8-12(14)10-17(15)13-6-4-11(2)5-7-13/h11-16H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 236.40 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-methylcyclohexyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).