5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C25H45N — CID 166980910

IUPAC5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC=CCCCC(CC)(CCC)CC/C(C)=C\CC1CC2CN(C)CC2C1
InChIInChI=1S/C25H45N/c1-6-9-10-15-25(8-3,14-7-2)16-13-21(4)11-12-22-17-23-19-26(5)20-24(23)18-22/h6,11,22-24H,1,7-10,12-20H2,2-5H3/b21-11-
InChIKeyDUOXWBLGHLQWOE-NHDPSOOVSA-N
MW359.64 g/mol
LogP7.24
Rot. Bonds12

About 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 166980910) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID166980910
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC Name5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC=CCCCC(CC)(CCC)CC/C(C)=C\CC1CC2CN(C)CC2C1
InChIInChI=1S/C25H45N/c1-6-9-10-15-25(8-3,14-7-2)16-13-21(4)11-12-22-17-23-19-26(5)20-24(23)18-22/h6,11,22-24H,1,7-10,12-20H2,2-5H3/b21-11-
InChIKeyDUOXWBLGHLQWOE-NHDPSOOVSA-N
XLogP7.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 166980910) is 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is C=CCCCC(CC)(CCC)CC/C(C)=C\CC1CC2CN(C)CC2C1.
What is the InChIKey of 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is DUOXWBLGHLQWOE-NHDPSOOVSA-N. The full InChI is InChI=1S/C25H45N/c1-6-9-10-15-25(8-3,14-7-2)16-13-21(4)11-12-22-17-23-19-26(5)20-24(23)18-22/h6,11,22-24H,1,7-10,12-20H2,2-5H3/b21-11-.
What are the key properties of 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 359.64 g/mol, XLogP of 7.24, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-6-ethyl-3-methyl-6-propylundeca-2,10-dienyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 166980910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).