5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol

C17H34N2O — CID 106809795

IUPAC5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN1CC2CCCC2C1
InChIInChI=1S/C17H34N2O/c1-3-10-18-17(4-2,14-20)9-6-11-19-12-15-7-5-8-16(15)13-19/h15-16,18,20H,3-14H2,1-2H3
InChIKeyUDUACOBXPUGSIU-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds9

About 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol (PubChem CID 106809795) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol
PubChem CID106809795
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN1CC2CCCC2C1
InChIInChI=1S/C17H34N2O/c1-3-10-18-17(4-2,14-20)9-6-11-19-12-15-7-5-8-16(15)13-19/h15-16,18,20H,3-14H2,1-2H3
InChIKeyUDUACOBXPUGSIU-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol with MolForge

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Related Compounds

5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809696
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809351
2-ethyl-5-(2-methylmorpholin-4-yl)-2-(propylamino)pentan-1-ol
CID 106809096
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 113336335
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106809191
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106808975
2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 106809860
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809028
5-(2,4-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808652
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809327
2-ethyl-5-(3-ethylmorpholin-4-yl)-2-(propylamino)pentan-1-ol
CID 106809313

Frequently Asked Questions

What is the IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol (CID 106809795) is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCN1CC2CCCC2C1.
What is the InChIKey of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol?
The InChIKey is UDUACOBXPUGSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-10-18-17(4-2,14-20)9-6-11-19-12-15-7-5-8-16(15)13-19/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol?
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106809795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).