3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile

C14H17N3 — CID 105484823

IUPAC3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile
SMILESCC(C)n1cc(CCN)c2cc(C#N)ccc21
InChIInChI=1S/C14H17N3/c1-10(2)17-9-12(5-6-15)13-7-11(8-16)3-4-14(13)17/h3-4,7,9-10H,5-6,15H2,1-2H3
InChIKeyQUDRBLOBPNOJDK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.60
Rot. Bonds3

About 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile

3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile (PubChem CID 105484823) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile
PubChem CID105484823
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile
SMILESCC(C)n1cc(CCN)c2cc(C#N)ccc21
InChIInChI=1S/C14H17N3/c1-10(2)17-9-12(5-6-15)13-7-11(8-16)3-4-14(13)17/h3-4,7,9-10H,5-6,15H2,1-2H3
InChIKeyQUDRBLOBPNOJDK-UHFFFAOYSA-N
XLogP2.60
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-dimethyl-1-propan-2-ylindol-3-yl)ethanamine
CID 83948286
3-(2-aminoethyl)-1-ethylindole-6-carbonitrile
CID 105466888
3-(aminomethyl)-1-propan-2-ylindol-5-amine
CID 117175454
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]propan-2-amine
CID 117175412
2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide
CID 101450267
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
CID 83949058
[3-(ethylsulfonylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117175369
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
CID 117175409
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile?
The IUPAC name of 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile (CID 105484823) is 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile.
What is the SMILES notation for 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile?
The canonical SMILES for 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile is CC(C)n1cc(CCN)c2cc(C#N)ccc21.
What is the InChIKey of 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile?
The InChIKey is QUDRBLOBPNOJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10(2)17-9-12(5-6-15)13-7-11(8-16)3-4-14(13)17/h3-4,7,9-10H,5-6,15H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile?
3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile is sourced from PubChem (CID 105484823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).