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

C14H19N3 — CID 66852692

IUPACN'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine
SMILESCN(C)C=CN(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3/c1-16(2)8-9-17(3)11-12-10-15-14-7-5-4-6-13(12)14/h4-10,15H,11H2,1-3H3
InChIKeyPIWFWPBUQOVATQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.63
Rot. Bonds4

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

N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine (PubChem CID 66852692) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine
PubChem CID66852692
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine
SMILESCN(C)C=CN(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3/c1-16(2)8-9-17(3)11-12-10-15-14-7-5-4-6-13(12)14/h4-10,15H,11H2,1-3H3
InChIKeyPIWFWPBUQOVATQ-UHFFFAOYSA-N
XLogP2.63
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
CID 135044640
CID 135044640
N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409137
N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231228
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
N'-(1H-indol-3-ylmethyl)-N'-methyloxamide
CID 115191974
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
CID 115259992
N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 156849664
(E)-4-[1H-indol-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237209
3-[1H-indol-3-ylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042973

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine?
The IUPAC name of N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine (CID 66852692) is N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine.
What is the SMILES notation for N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine?
The canonical SMILES for N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine is CN(C)C=CN(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine?
The InChIKey is PIWFWPBUQOVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-16(2)8-9-17(3)11-12-10-15-14-7-5-4-6-13(12)14/h4-10,15H,11H2,1-3H3.
What are the key properties of N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine?
N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine has a molecular weight of 229.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine is sourced from PubChem (CID 66852692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).