N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine

C19H23N3 — CID 119110220

IUPACN'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cccc2[nH]ccc12)Cc1ccccc1
InChIInChI=1S/C19H23N3/c1-22(15-16-6-3-2-4-7-16)13-12-20-14-17-8-5-9-19-18(17)10-11-21-19/h2-11,20-21H,12-15H2,1H3
InChIKeyUJBUWCLEBRBBAB-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.39
Rot. Bonds7

About N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine

N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 119110220) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID119110220
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cccc2[nH]ccc12)Cc1ccccc1
InChIInChI=1S/C19H23N3/c1-22(15-16-6-3-2-4-7-16)13-12-20-14-17-8-5-9-19-18(17)10-11-21-19/h2-11,20-21H,12-15H2,1H3
InChIKeyUJBUWCLEBRBBAB-UHFFFAOYSA-N
XLogP3.39
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 63002267
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-[3-(1H-indol-4-ylmethylamino)propyl]ethanesulfonamide
CID 119110562
N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843083
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
N-(1H-indol-4-ylmethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 86815165
4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 119110260
1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
CID 121496080

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine (CID 119110220) is N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCc1cccc2[nH]ccc12)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is UJBUWCLEBRBBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-22(15-16-6-3-2-4-7-16)13-12-20-14-17-8-5-9-19-18(17)10-11-21-19/h2-11,20-21H,12-15H2,1H3.
What are the key properties of N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine?
N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 293.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 119110220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).