N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine

C112H142F9N19 — CID 167548348

IUPACN-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESCCN(C)CCc1c(C#N)[nH]c2ccccc12.CCN(C)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCN(C)CCc1c[nH]c2c(C#N)cccc12.CCN(C)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCN(C)CCc1c[nH]c2cc(C)ccc12.CCN(C)CCc1c[nH]c2ccc(C)cc12.CCN(C)CCc1c[nH]c2cccc(C(F)(F)F)c12.[C-]#[N+]c1ccc2c(CCN(C)CC)c[nH]c2c1
InChIInChI=1S/3C14H17F3N2.3C14H17N3.2C14H20N2/c1-3-19(2)8-7-10-9-18-12-6-4-5-11(13(10)12)14(15,16)17;1-3-19(2)8-7-10-9-18-13-11(10)5-4-6-12(13)14(15,16)17;1-3-19(2)9-8-11-10-6-4-5-7-12(10)18-13(11)14(15,16)17;1-4-17(3)8-7-11-10-16-14-9-12(15-2)5-6-13(11)14;1-3-17(2)8-7-12-10-16-14-11(9-15)5-4-6-13(12)14;1-3-17(2)9-8-12-11-6-4-5-7-13(11)16-14(12)10-15;1-4-16(3)8-7-12-10-15-14-6-5-11(2)9-13(12)14;1-4-16(3)8-7-12-10-15-14-9-11(2)5-6-13(12)14/h2*4-6,9,18H,3,7-8H2,1-2H3;4-7,18H,3,8-9H2,1-2H3;5-6,9-10,16H,4,7-8H2,1,3H3;4-6,10,16H,3,7-8H2,1-2H3;4-7,16H,3,8-9H2,1-2H3;2*5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyCBWSZHMKOFZEFA-UHFFFAOYSA-N
MW1925.48 g/mol
LogP25.26
Rot. Bonds32

About N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine

N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine (PubChem CID 167548348) has the molecular formula C112H142F9N19 and a molecular weight of 1925.48 g/mol. Its IUPAC name is N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine
PubChem CID167548348
Molecular FormulaC112H142F9N19
Molecular Weight1925.48 g/mol
Exact Mass1924.16
IUPAC NameN-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESCCN(C)CCc1c(C#N)[nH]c2ccccc12.CCN(C)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCN(C)CCc1c[nH]c2c(C#N)cccc12.CCN(C)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCN(C)CCc1c[nH]c2cc(C)ccc12.CCN(C)CCc1c[nH]c2ccc(C)cc12.CCN(C)CCc1c[nH]c2cccc(C(F)(F)F)c12.[C-]#[N+]c1ccc2c(CCN(C)CC)c[nH]c2c1
InChIInChI=1S/3C14H17F3N2.3C14H17N3.2C14H20N2/c1-3-19(2)8-7-10-9-18-12-6-4-5-11(13(10)12)14(15,16)17;1-3-19(2)8-7-10-9-18-13-11(10)5-4-6-12(13)14(15,16)17;1-3-19(2)9-8-11-10-6-4-5-7-12(10)18-13(11)14(15,16)17;1-4-17(3)8-7-11-10-16-14-9-12(15-2)5-6-13(11)14;1-3-17(2)8-7-12-10-16-14-11(9-15)5-4-6-13(12)14;1-3-17(2)9-8-12-11-6-4-5-7-13(11)16-14(12)10-15;1-4-16(3)8-7-12-10-15-14-6-5-11(2)9-13(12)14;1-4-16(3)8-7-12-10-15-14-9-11(2)5-6-13(12)14/h2*4-6,9,18H,3,7-8H2,1-2H3;4-7,18H,3,8-9H2,1-2H3;5-6,9-10,16H,4,7-8H2,1,3H3;4-6,10,16H,3,7-8H2,1-2H3;4-7,16H,3,8-9H2,1-2H3;2*5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyCBWSZHMKOFZEFA-UHFFFAOYSA-N
XLogP25.26
TPSA204.18 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001925.48
LogP ≤ 525.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine with MolForge

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Related Compounds

4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole-3-carbonitrile
CID 152991397
3-[[4-[bis(5-cyano-1H-indol-3-yl)methyl]phenyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 57326787
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-3-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127034771
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127035944
5,8-bis(5-cyano-1H-indol-3-yl)-9H-carbazole-2-carbonitrile
CID 177657733
6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole
CID 139229709
Penta-carbazolylbenzonitrile
CID 151431468
3-[2-[4,4-bis(1H-indol-4-yl)-1-[2-[6-(trifluoromethyl)-1H-indol-3-yl]ethyl]piperazin-4-ium-2-yl]ethyl]-6-(trifluoromethyl)-1H-indole
CID 54030900
5-fluoro-3-[2-[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4,4-bis(1H-indol-4-yl)piperazin-4-ium-2-yl]ethyl]-1H-indole
CID 54099026
3,5-Bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-2,4,6-tris[4-(trifluoromethyl)phenyl]benzonitrile
CID 122522936
2-(1H-indol-3-yl)-3-[3-[3-(1-methyl-2,3-dihydroindol-2-yl)-1H-indol-5-yl]-4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 123408259
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CID 124013168

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine (CID 167548348) is N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine is CCN(C)CCc1c(C#N)[nH]c2ccccc12.CCN(C)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCN(C)CCc1c[nH]c2c(C#N)cccc12.CCN(C)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCN(C)CCc1c[nH]c2cc(C)ccc12.CCN(C)CCc1c[nH]c2ccc(C)cc12.CCN(C)CCc1c[nH]c2cccc(C(F)(F)F)c12.[C-]#[N+]c1ccc2c(CCN(C)CC)c[nH]c2c1.
What is the InChIKey of N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The InChIKey is CBWSZHMKOFZEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H17F3N2.3C14H17N3.2C14H20N2/c1-3-19(2)8-7-10-9-18-12-6-4-5-11(13(10)12)14(15,16)17;1-3-19(2)8-7-10-9-18-13-11(10)5-4-6-12(13)14(15,16)17;1-3-19(2)9-8-11-10-6-4-5-7-12(10)18-13(11)14(15,16)17;1-4-17(3)8-7-11-10-16-14-9-12(15-2)5-6-13(11)14;1-3-17(2)8-7-12-10-16-14-11(9-15)5-4-6-13(12)14;1-3-17(2)9-8-12-11-6-4-5-7-13(11)16-14(12)10-15;1-4-16(3)8-7-12-10-15-14-6-5-11(2)9-13(12)14;1-4-16(3)8-7-12-10-15-14-9-11(2)5-6-13(12)14/h2*4-6,9,18H,3,7-8H2,1-2H3;4-7,18H,3,8-9H2,1-2H3;5-6,9-10,16H,4,7-8H2,1,3H3;4-6,10,16H,3,7-8H2,1-2H3;4-7,16H,3,8-9H2,1-2H3;2*5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine has a molecular weight of 1925.48 g/mol, XLogP of 25.26, 32 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-isocyano-1H-indol-3-yl)-N-methylethanamine;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 167548348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).