2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol

C19H34N4O — CID 123451806

IUPAC2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol
SMILESCCCN(CCN(CC)CCO)CCN1CCc2ccc(N)cc21
InChIInChI=1S/C19H34N4O/c1-3-8-22(11-10-21(4-2)14-15-24)12-13-23-9-7-17-5-6-18(20)16-19(17)23/h5-6,16,24H,3-4,7-15,20H2,1-2H3
InChIKeySHYXLQIOCYJNBM-UHFFFAOYSA-N
MW334.51 g/mol
LogP1.66
Rot. Bonds11

About 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol

2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol (PubChem CID 123451806) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol
PubChem CID123451806
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol
SMILESCCCN(CCN(CC)CCO)CCN1CCc2ccc(N)cc21
InChIInChI=1S/C19H34N4O/c1-3-8-22(11-10-21(4-2)14-15-24)12-13-23-9-7-17-5-6-18(20)16-19(17)23/h5-6,16,24H,3-4,7-15,20H2,1-2H3
InChIKeySHYXLQIOCYJNBM-UHFFFAOYSA-N
XLogP1.66
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol?
The IUPAC name of 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol (CID 123451806) is 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol is CCCN(CCN(CC)CCO)CCN1CCc2ccc(N)cc21.
What is the InChIKey of 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol?
The InChIKey is SHYXLQIOCYJNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-3-8-22(11-10-21(4-2)14-15-24)12-13-23-9-7-17-5-6-18(20)16-19(17)23/h5-6,16,24H,3-4,7-15,20H2,1-2H3.
What are the key properties of 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol?
2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol has a molecular weight of 334.51 g/mol, XLogP of 1.66, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(6-amino-2,3-dihydroindol-1-yl)ethyl-propylamino]ethyl-ethylamino]ethanol is sourced from PubChem (CID 123451806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).