3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile

C14H17N3 — CID 156836179

IUPAC3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile
SMILESCCN(C)CCc1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C14H17N3/c1-3-17(2)7-6-12-10-16-14-8-11(9-15)4-5-13(12)14/h4-5,8,10,16H,3,6-7H2,1-2H3
InChIKeyAXIFDHADTYQZDR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.53
Rot. Bonds4

About 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile

3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile (PubChem CID 156836179) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile
PubChem CID156836179
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile
SMILESCCN(C)CCc1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C14H17N3/c1-3-17(2)7-6-12-10-16-14-8-11(9-15)4-5-13(12)14/h4-5,8,10,16H,3,6-7H2,1-2H3
InChIKeyAXIFDHADTYQZDR-UHFFFAOYSA-N
XLogP2.53
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloropropyl)-1H-indole-6-carbonitrile
CID 57120485
4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide
CID 92761200
2-(6-cyano-1H-indol-3-yl)ethyl carbamate
CID 175555647
N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine
CID 162773393
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111973940
3-[4-[ethyl(pyridin-3-yl)amino]butyl]-1H-indole-5-carbonitrile
CID 10313828
N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen
CID 177026314
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 168840392
3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 171726295

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile (CID 156836179) is 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile is CCN(C)CCc1c[nH]c2cc(C#N)ccc12.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile?
The InChIKey is AXIFDHADTYQZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-17(2)7-6-12-10-16-14-8-11(9-15)4-5-13(12)14/h4-5,8,10,16H,3,6-7H2,1-2H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile?
3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 156836179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).