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

C144H195F9N22 — CID 163798214

IUPACN-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c(C#N)[nH]c2ccccc12.CCCN(CC)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCCN(CC)CCc1c[nH]c2c(C#N)cccc12.CCCN(CC)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCCN(CC)CCc1c[nH]c2cc(C)ccc12.CCCN(CC)CCc1c[nH]c2ccc(C)cc12.CCCN(CC)CCc1c[nH]c2cccc(C(F)(F)F)c12.[C-]#[N+]c1ccc2[nH]cc(CCN(CC)CCC)c2c1.[C-]#[N+]c1ccc2c(CCN(CC)CCC)c[nH]c2c1
InChIInChI=1S/3C16H21F3N2.4C16H21N3.2C16H24N2/c1-3-9-21(4-2)10-8-12-11-20-14-7-5-6-13(15(12)14)16(17,18)19;1-3-9-21(4-2)10-8-12-11-20-15-13(12)6-5-7-14(15)16(17,18)19;1-3-10-21(4-2)11-9-13-12-7-5-6-8-14(12)20-15(13)16(17,18)19;1-4-9-19(5-2)10-8-13-12-18-16-7-6-14(17-3)11-15(13)16;1-4-9-19(5-2)10-8-13-12-18-16-11-14(17-3)6-7-15(13)16;1-3-9-19(4-2)10-8-14-12-18-16-13(11-17)6-5-7-15(14)16;1-3-10-19(4-2)11-9-14-13-7-5-6-8-15(13)18-16(14)12-17;1-4-9-18(5-2)10-8-14-12-17-16-7-6-13(3)11-15(14)16;1-4-9-18(5-2)10-8-14-12-17-16-11-13(3)6-7-15(14)16/h2*5-7,11,20H,3-4,8-10H2,1-2H3;5-8,20H,3-4,9-11H2,1-2H3;2*6-7,11-12,18H,4-5,8-10H2,1-2H3;5-7,12,18H,3-4,8-10H2,1-2H3;5-8,18H,3-4,9-11H2,1-2H3;2*6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyNCRCAQNKHYXOOK-UHFFFAOYSA-N
MW2405.28 g/mol
LogP35.50
Rot. Bonds54

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

N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine (PubChem CID 163798214) has the molecular formula C144H195F9N22 and a molecular weight of 2405.28 g/mol. Its IUPAC name is N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
PubChem CID163798214
Molecular FormulaC144H195F9N22
Molecular Weight2405.28 g/mol
Exact Mass2403.58
IUPAC NameN-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c(C#N)[nH]c2ccccc12.CCCN(CC)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCCN(CC)CCc1c[nH]c2c(C#N)cccc12.CCCN(CC)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCCN(CC)CCc1c[nH]c2cc(C)ccc12.CCCN(CC)CCc1c[nH]c2ccc(C)cc12.CCCN(CC)CCc1c[nH]c2cccc(C(F)(F)F)c12.[C-]#[N+]c1ccc2[nH]cc(CCN(CC)CCC)c2c1.[C-]#[N+]c1ccc2c(CCN(CC)CCC)c[nH]c2c1
InChIInChI=1S/3C16H21F3N2.4C16H21N3.2C16H24N2/c1-3-9-21(4-2)10-8-12-11-20-14-7-5-6-13(15(12)14)16(17,18)19;1-3-9-21(4-2)10-8-12-11-20-15-13(12)6-5-7-14(15)16(17,18)19;1-3-10-21(4-2)11-9-13-12-7-5-6-8-14(12)20-15(13)16(17,18)19;1-4-9-19(5-2)10-8-13-12-18-16-7-6-14(17-3)11-15(13)16;1-4-9-19(5-2)10-8-13-12-18-16-11-14(17-3)6-7-15(13)16;1-3-9-19(4-2)10-8-14-12-18-16-13(11-17)6-5-7-15(14)16;1-3-10-19(4-2)11-9-14-13-7-5-6-8-15(13)18-16(14)12-17;1-4-9-18(5-2)10-8-14-12-17-16-7-6-13(3)11-15(14)16;1-4-9-18(5-2)10-8-14-12-17-16-11-13(3)6-7-15(14)16/h2*5-7,11,20H,3-4,8-10H2,1-2H3;5-8,20H,3-4,9-11H2,1-2H3;2*6-7,11-12,18H,4-5,8-10H2,1-2H3;5-7,12,18H,3-4,8-10H2,1-2H3;5-8,18H,3-4,9-11H2,1-2H3;2*6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyNCRCAQNKHYXOOK-UHFFFAOYSA-N
XLogP35.50
TPSA227.57 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds54
Heavy Atoms175
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002405.28
LogP ≤ 535.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine (CID 163798214) is N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine is CCCN(CC)CCc1c(C#N)[nH]c2ccccc12.CCCN(CC)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCCN(CC)CCc1c[nH]c2c(C#N)cccc12.CCCN(CC)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCCN(CC)CCc1c[nH]c2cc(C)ccc12.CCCN(CC)CCc1c[nH]c2ccc(C)cc12.CCCN(CC)CCc1c[nH]c2cccc(C(F)(F)F)c12.[C-]#[N+]c1ccc2[nH]cc(CCN(CC)CCC)c2c1.[C-]#[N+]c1ccc2c(CCN(CC)CCC)c[nH]c2c1.
What is the InChIKey of N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine?
The InChIKey is NCRCAQNKHYXOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H21F3N2.4C16H21N3.2C16H24N2/c1-3-9-21(4-2)10-8-12-11-20-14-7-5-6-13(15(12)14)16(17,18)19;1-3-9-21(4-2)10-8-12-11-20-15-13(12)6-5-7-14(15)16(17,18)19;1-3-10-21(4-2)11-9-13-12-7-5-6-8-14(12)20-15(13)16(17,18)19;1-4-9-19(5-2)10-8-13-12-18-16-7-6-14(17-3)11-15(13)16;1-4-9-19(5-2)10-8-13-12-18-16-11-14(17-3)6-7-15(13)16;1-3-9-19(4-2)10-8-14-12-18-16-13(11-17)6-5-7-15(14)16;1-3-10-19(4-2)11-9-14-13-7-5-6-8-15(13)18-16(14)12-17;1-4-9-18(5-2)10-8-14-12-17-16-7-6-13(3)11-15(14)16;1-4-9-18(5-2)10-8-14-12-17-16-11-13(3)6-7-15(14)16/h2*5-7,11,20H,3-4,8-10H2,1-2H3;5-8,20H,3-4,9-11H2,1-2H3;2*6-7,11-12,18H,4-5,8-10H2,1-2H3;5-7,12,18H,3-4,8-10H2,1-2H3;5-8,18H,3-4,9-11H2,1-2H3;2*6-7,11-12,17H,4-5,8-10H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine?
N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine has a molecular weight of 2405.28 g/mol, XLogP of 35.50, 54 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 163798214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).