1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine

C16H26N3O+ — CID 67236454

IUPAC1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine
SMILESC[N+]1(CCCN2CCc3ccc(N)cc32)CCOCC1
InChIInChI=1S/C16H26N3O/c1-19(9-11-20-12-10-19)8-2-6-18-7-5-14-3-4-15(17)13-16(14)18/h3-4,13H,2,5-12,17H2,1H3/q+1
InChIKeyIPRJWUKLCRTZMU-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.50
Rot. Bonds4

About 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine

1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine (PubChem CID 67236454) has the molecular formula C16H26N3O+ and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine
PubChem CID67236454
Molecular FormulaC16H26N3O+
Molecular Weight276.40 g/mol
Exact Mass276.21
IUPAC Name1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine
SMILESC[N+]1(CCCN2CCc3ccc(N)cc32)CCOCC1
InChIInChI=1S/C16H26N3O/c1-19(9-11-20-12-10-19)8-2-6-18-7-5-14-3-4-15(17)13-16(14)18/h3-4,13H,2,5-12,17H2,1H3/q+1
InChIKeyIPRJWUKLCRTZMU-UHFFFAOYSA-N
XLogP1.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine (CID 67236454) is 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine is C[N+]1(CCCN2CCc3ccc(N)cc32)CCOCC1.
What is the InChIKey of 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine?
The InChIKey is IPRJWUKLCRTZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N3O/c1-19(9-11-20-12-10-19)8-2-6-18-7-5-14-3-4-15(17)13-16(14)18/h3-4,13H,2,5-12,17H2,1H3/q+1.
What are the key properties of 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine?
1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine has a molecular weight of 276.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 67236454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).