1-(2-aminoethyl)indole-4-carbonitrile

C11H11N3 — CID 103846349

IUPAC1-(2-aminoethyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCN
InChIInChI=1S/C11H11N3/c12-5-7-14-6-4-10-9(8-13)2-1-3-11(10)14/h1-4,6H,5,7,12H2
InChIKeyMBZMEWSQEHSEBL-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.47
Rot. Bonds2

About 1-(2-aminoethyl)indole-4-carbonitrile

1-(2-aminoethyl)indole-4-carbonitrile (PubChem CID 103846349) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(2-aminoethyl)indole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-aminoethyl)indole-4-carbonitrile
PubChem CID103846349
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1-(2-aminoethyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCN
InChIInChI=1S/C11H11N3/c12-5-7-14-6-4-10-9(8-13)2-1-3-11(10)14/h1-4,6H,5,7,12H2
InChIKeyMBZMEWSQEHSEBL-UHFFFAOYSA-N
XLogP1.47
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
1-Methyl-1H-indole-3-ethylamine
CID 23492

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)indole-4-carbonitrile?
The IUPAC name of 1-(2-aminoethyl)indole-4-carbonitrile (CID 103846349) is 1-(2-aminoethyl)indole-4-carbonitrile.
What is the SMILES notation for 1-(2-aminoethyl)indole-4-carbonitrile?
The canonical SMILES for 1-(2-aminoethyl)indole-4-carbonitrile is N#Cc1cccc2c1ccn2CCN.
What is the InChIKey of 1-(2-aminoethyl)indole-4-carbonitrile?
The InChIKey is MBZMEWSQEHSEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-5-7-14-6-4-10-9(8-13)2-1-3-11(10)14/h1-4,6H,5,7,12H2.
What are the key properties of 1-(2-aminoethyl)indole-4-carbonitrile?
1-(2-aminoethyl)indole-4-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)indole-4-carbonitrile is sourced from PubChem (CID 103846349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).