5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine

C15H23N3O — CID 15341730

IUPAC5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
SMILESNCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C15H23N3O/c16-7-2-1-3-9-19-13-4-5-15-14(10-13)12(6-8-17)11-18-15/h4-5,10-11,18H,1-3,6-9,16-17H2
InChIKeyGKSQQMRYOKUREV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.18
Rot. Bonds8

About 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine

5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine (PubChem CID 15341730) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine.

Molecular Properties

Compound Name5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
PubChem CID15341730
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
SMILESNCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C15H23N3O/c16-7-2-1-3-9-19-13-4-5-15-14(10-13)12(6-8-17)11-18-15/h4-5,10-11,18H,1-3,6-9,16-17H2
InChIKeyGKSQQMRYOKUREV-UHFFFAOYSA-N
XLogP2.18
TPSA77.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride
CID 22097965
2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 134155855
2-(5-dodecoxy-1H-indol-3-yl)ethanamine;2-[5-(2-ethylhexoxy)-1H-indol-3-yl]ethanamine;2-(5-hexadecoxy-1H-indol-3-yl)ethanamine;2-(5-tetradecoxy-1H-indol-3-yl)ethanamine
CID 161238590
2-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]butyl]isoindole-1,3-dione;hydrochloride
CID 19029941
2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine
CID 154204464
bis[3-(2-aminoethyl)-1H-indol-5-yl] hexanedioate
CID 57477029
2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine
CID 71510842
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine?
The IUPAC name of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine (CID 15341730) is 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine.
What is the SMILES notation for 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine?
The canonical SMILES for 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine is NCCCCCOc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine?
The InChIKey is GKSQQMRYOKUREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-7-2-1-3-9-19-13-4-5-15-14(10-13)12(6-8-17)11-18-15/h4-5,10-11,18H,1-3,6-9,16-17H2.
What are the key properties of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine?
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine is sourced from PubChem (CID 15341730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).