N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C15H23N3O — CID 62843083

IUPACN-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCc1c[nH]c2ccccc12
InChIInChI=1S/C15H23N3O/c1-18(9-10-19-2)8-7-16-11-13-12-17-15-6-4-3-5-14(13)15/h3-6,12,16-17H,7-11H2,1-2H3
InChIKeyCQRJDABAXKODSL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.84
Rot. Bonds8

About N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62843083) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62843083
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCc1c[nH]c2ccccc12
InChIInChI=1S/C15H23N3O/c1-18(9-10-19-2)8-7-16-11-13-12-17-15-6-4-3-5-14(13)15/h3-6,12,16-17H,7-11H2,1-2H3
InChIKeyCQRJDABAXKODSL-UHFFFAOYSA-N
XLogP1.84
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
N-[(2,3-dimethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844818
N-(isoquinolin-4-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115748378
1-[2-(1H-indol-3-yl)ethyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110996726
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
1-N-(1H-indol-3-ylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 55024666
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62843083) is N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is CQRJDABAXKODSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(9-10-19-2)8-7-16-11-13-12-17-15-6-4-3-5-14(13)15/h3-6,12,16-17H,7-11H2,1-2H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62843083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).