5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C18H33N — CID 177011505

IUPAC5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCC1CC2CN(C3CCC(C(C)C)CC3)CC2C1
InChIInChI=1S/C18H33N/c1-4-14-9-16-11-19(12-17(16)10-14)18-7-5-15(6-8-18)13(2)3/h13-18H,4-12H2,1-3H3
InChIKeyBCFXHXZFYKGEHB-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.57
Rot. Bonds3

About 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 177011505) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID177011505
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCC1CC2CN(C3CCC(C(C)C)CC3)CC2C1
InChIInChI=1S/C18H33N/c1-4-14-9-16-11-19(12-17(16)10-14)18-7-5-15(6-8-18)13(2)3/h13-18H,4-12H2,1-3H3
InChIKeyBCFXHXZFYKGEHB-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 177011505) is 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CCC1CC2CN(C3CCC(C(C)C)CC3)CC2C1.
What is the InChIKey of 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is BCFXHXZFYKGEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-4-14-9-16-11-19(12-17(16)10-14)18-7-5-15(6-8-18)13(2)3/h13-18H,4-12H2,1-3H3.
What are the key properties of 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 263.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-propan-2-ylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 177011505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).