2-(1H-indol-3-ylmethylamino)propanenitrile

C12H13N3 — CID 115130152

IUPAC2-(1H-indol-3-ylmethylamino)propanenitrile
SMILESCC(C#N)NCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13N3/c1-9(6-13)14-7-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,14-15H,7H2,1H3
InChIKeyALPBYQUVYXVXQJ-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.17
Rot. Bonds3

About 2-(1H-indol-3-ylmethylamino)propanenitrile

2-(1H-indol-3-ylmethylamino)propanenitrile (PubChem CID 115130152) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethylamino)propanenitrile.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethylamino)propanenitrile
PubChem CID115130152
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(1H-indol-3-ylmethylamino)propanenitrile
SMILESCC(C#N)NCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13N3/c1-9(6-13)14-7-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,14-15H,7H2,1H3
InChIKeyALPBYQUVYXVXQJ-UHFFFAOYSA-N
XLogP2.17
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-ylmethylamino)-2-methylpropanenitrile
CID 62646036
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
1H-indol-3-ylmethylcyanamide
CID 145401688
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 61057745
2-[(2-hydroxyphenyl)methylamino]propanenitrile
CID 114331988
2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659
1-(1H-indol-3-ylmethylamino)ethanesulfonic acid
CID 177255984
2-[2-(1H-indol-3-yl)ethylamino]-4-methylpentanenitrile
CID 112511537
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethylamino)propanenitrile?
The IUPAC name of 2-(1H-indol-3-ylmethylamino)propanenitrile (CID 115130152) is 2-(1H-indol-3-ylmethylamino)propanenitrile.
What is the SMILES notation for 2-(1H-indol-3-ylmethylamino)propanenitrile?
The canonical SMILES for 2-(1H-indol-3-ylmethylamino)propanenitrile is CC(C#N)NCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylmethylamino)propanenitrile?
The InChIKey is ALPBYQUVYXVXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9(6-13)14-7-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,14-15H,7H2,1H3.
What are the key properties of 2-(1H-indol-3-ylmethylamino)propanenitrile?
2-(1H-indol-3-ylmethylamino)propanenitrile has a molecular weight of 199.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethylamino)propanenitrile is sourced from PubChem (CID 115130152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).