3-(2-aminoethyl)-1-ethylindole-6-carbonitrile

C13H15N3 — CID 105466888

IUPAC3-(2-aminoethyl)-1-ethylindole-6-carbonitrile
SMILESCCn1cc(CCN)c2ccc(C#N)cc21
InChIInChI=1S/C13H15N3/c1-2-16-9-11(5-6-14)12-4-3-10(8-15)7-13(12)16/h3-4,7,9H,2,5-6,14H2,1H3
InChIKeyFDHQDNUOVPQZAL-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.03
Rot. Bonds3

About 3-(2-aminoethyl)-1-ethylindole-6-carbonitrile

3-(2-aminoethyl)-1-ethylindole-6-carbonitrile (PubChem CID 105466888) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-ethylindole-6-carbonitrile.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-ethylindole-6-carbonitrile
PubChem CID105466888
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(2-aminoethyl)-1-ethylindole-6-carbonitrile
SMILESCCn1cc(CCN)c2ccc(C#N)cc21
InChIInChI=1S/C13H15N3/c1-2-16-9-11(5-6-14)12-4-3-10(8-15)7-13(12)16/h3-4,7,9H,2,5-6,14H2,1H3
InChIKeyFDHQDNUOVPQZAL-UHFFFAOYSA-N
XLogP2.03
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile
CID 105484823
1-ethyl-3-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]indole-6-carbonitrile
CID 69200545
3-bromo-4-[(6-cyano-1-ethylindol-3-yl)methyl]benzoic acid
CID 69201408
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
2-(1-butyl-6-methoxyindol-3-yl)ethanamine
CID 83948665
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
1-ethyl-3-formylindole-5-carbonitrile
CID 53415945
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
3-bromo-4-[(6-cyano-1-ethylindol-3-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 69202216
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-(1-ethyl-6-methylindol-3-yl)-N-methylmethanamine
CID 117185713

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-ethylindole-6-carbonitrile?
The IUPAC name of 3-(2-aminoethyl)-1-ethylindole-6-carbonitrile (CID 105466888) is 3-(2-aminoethyl)-1-ethylindole-6-carbonitrile.
What is the SMILES notation for 3-(2-aminoethyl)-1-ethylindole-6-carbonitrile?
The canonical SMILES for 3-(2-aminoethyl)-1-ethylindole-6-carbonitrile is CCn1cc(CCN)c2ccc(C#N)cc21.
What is the InChIKey of 3-(2-aminoethyl)-1-ethylindole-6-carbonitrile?
The InChIKey is FDHQDNUOVPQZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-16-9-11(5-6-14)12-4-3-10(8-15)7-13(12)16/h3-4,7,9H,2,5-6,14H2,1H3.
What are the key properties of 3-(2-aminoethyl)-1-ethylindole-6-carbonitrile?
3-(2-aminoethyl)-1-ethylindole-6-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.03, 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-ethylindole-6-carbonitrile is sourced from PubChem (CID 105466888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).