5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol

C18H30N2O — CID 102661847

IUPAC5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
SMILESCCCNC(C)c1ccc2c(c1)CCN2CCCCCO
InChIInChI=1S/C18H30N2O/c1-3-10-19-15(2)16-7-8-18-17(14-16)9-12-20(18)11-5-4-6-13-21/h7-8,14-15,19,21H,3-6,9-13H2,1-2H3
InChIKeyTUZVFXQDCZBJFJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.27
Rot. Bonds9

About 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol

5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol (PubChem CID 102661847) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
PubChem CID102661847
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
SMILESCCCNC(C)c1ccc2c(c1)CCN2CCCCCO
InChIInChI=1S/C18H30N2O/c1-3-10-19-15(2)16-7-8-18-17(14-16)9-12-20(18)11-5-4-6-13-21/h7-8,14-15,19,21H,3-6,9-13H2,1-2H3
InChIKeyTUZVFXQDCZBJFJ-UHFFFAOYSA-N
XLogP3.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol?
The IUPAC name of 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol (CID 102661847) is 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol is CCCNC(C)c1ccc2c(c1)CCN2CCCCCO.
What is the InChIKey of 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol?
The InChIKey is TUZVFXQDCZBJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-10-19-15(2)16-7-8-18-17(14-16)9-12-20(18)11-5-4-6-13-21/h7-8,14-15,19,21H,3-6,9-13H2,1-2H3.
What are the key properties of 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol?
5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol is sourced from PubChem (CID 102661847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).