2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile

C13H15N3 — CID 115130271

IUPAC2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
SMILESCC(C#N)N(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N3/c1-10(7-14)16(2)9-11-8-15-13-6-4-3-5-12(11)13/h3-6,8,10,15H,9H2,1-2H3
InChIKeyLYAVNIQADIQGAN-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.51
Rot. Bonds3

About 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile

2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile (PubChem CID 115130271) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
PubChem CID115130271
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
SMILESCC(C#N)N(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N3/c1-10(7-14)16(2)9-11-8-15-13-6-4-3-5-12(11)13/h3-6,8,10,15H,9H2,1-2H3
InChIKeyLYAVNIQADIQGAN-UHFFFAOYSA-N
XLogP2.51
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol
CID 101122939
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
3-(1H-indol-3-ylmethylamino)-2-methylpropanenitrile
CID 62646036
2-[2-(1H-indol-3-yl)ethylamino]-4-methylpentanenitrile
CID 112511537
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409137
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine
CID 66852692
N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 156849664
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide
CID 23623089

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile?
The IUPAC name of 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile (CID 115130271) is 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile?
The canonical SMILES for 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile is CC(C#N)N(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile?
The InChIKey is LYAVNIQADIQGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10(7-14)16(2)9-11-8-15-13-6-4-3-5-12(11)13/h3-6,8,10,15H,9H2,1-2H3.
What are the key properties of 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile?
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile has a molecular weight of 213.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile is sourced from PubChem (CID 115130271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).