N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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

C126H159F9N22 — CID 163868419

IUPACN-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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
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+]c1ccc2[nH]cc(CCN(C)CC)c2c1.[C-]#[N+]c1ccc2c(CCN(C)CC)c[nH]c2c1
InChIInChI=1S/3C14H17F3N2.4C14H17N3.2C14H20N2/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)8-7-11-10-16-14-6-5-12(15-2)9-13(11)14;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;2*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
InChIKeyPIRJICKHTGSWCK-UHFFFAOYSA-N
MW2152.79 g/mol
LogP28.48
Rot. Bonds36

About N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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 163868419) has the molecular formula C126H159F9N22 and a molecular weight of 2152.79 g/mol. Its IUPAC name is N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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 CID163868419
Molecular FormulaC126H159F9N22
Molecular Weight2152.79 g/mol
Exact Mass2151.30
IUPAC NameN-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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
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+]c1ccc2[nH]cc(CCN(C)CC)c2c1.[C-]#[N+]c1ccc2c(CCN(C)CC)c[nH]c2c1
InChIInChI=1S/3C14H17F3N2.4C14H17N3.2C14H20N2/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)8-7-11-10-16-14-6-5-12(15-2)9-13(11)14;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;2*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
InChIKeyPIRJICKHTGSWCK-UHFFFAOYSA-N
XLogP28.48
TPSA227.57 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds36
Heavy Atoms157
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002152.79
LogP ≤ 528.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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 163868419) is N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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+]c1ccc2[nH]cc(CCN(C)CC)c2c1.[C-]#[N+]c1ccc2c(CCN(C)CC)c[nH]c2c1.
What is the InChIKey of N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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 PIRJICKHTGSWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H17F3N2.4C14H17N3.2C14H20N2/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)8-7-11-10-16-14-6-5-12(15-2)9-13(11)14;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;2*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-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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 2152.79 g/mol, XLogP of 28.48, 36 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine;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 163868419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).