(E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine

C19H20N4 — CID 18721017

IUPAC(E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine
SMILESCCN1/C(=N\N=C2/Cc3ccccc3N2C)Cc2ccccc21
InChIInChI=1S/C19H20N4/c1-3-23-17-11-7-5-9-15(17)13-19(23)21-20-18-12-14-8-4-6-10-16(14)22(18)2/h4-11H,3,12-13H2,1-2H3/b20-18+,21-19-
InChIKeyHZWVMZMBFUMZTL-FXUQRDQZSA-N
MW304.40 g/mol
LogP3.47
Rot. Bonds2

About (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine

(E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine (PubChem CID 18721017) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine
PubChem CID18721017
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name(E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine
SMILESCCN1/C(=N\N=C2/Cc3ccccc3N2C)Cc2ccccc21
InChIInChI=1S/C19H20N4/c1-3-23-17-11-7-5-9-15(17)13-19(23)21-20-18-12-14-8-4-6-10-16(14)22(18)2/h4-11H,3,12-13H2,1-2H3/b20-18+,21-19-
InChIKeyHZWVMZMBFUMZTL-FXUQRDQZSA-N
XLogP3.47
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2,3,6-trimethyl-4-[(1,2,3,6-tetramethylpyridin-1-ium-4-yl)methyl]pyridin-1-ium;ethane;(E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine
CID 91422154
10-propyl-9H-acridine
CID 71122947
ethane;(E)-1-methyl-N-[(Z)-[1-[[4-[[2-[(1-methyl-3H-indol-1-ium-2-yl)methyl]-3H-indol-1-ium-1-yl]methyl]phenyl]methyl]-3H-indol-2-ylidene]amino]-3H-indol-2-imine
CID 90988025
5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine
CID 159361083
1-methyl-3H-indole-2-thione
CID 26156
10-(2-nitrosoethyl)-9H-acridine
CID 167169061
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
9H-acridin-10-ylmethanol
CID 23521289
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-(dimethylphosphorylmethyl)-2-methylidene-3H-indole
CID 59441561
1,3-diethyl-4H-quinazolin-2-one
CID 22323562
10-[[4-[[2-[[1-[[4-[(2,7-dimethyl-9H-acridin-10-yl)methyl]phenyl]methyl]-3H-indol-1-ium-2-yl]methyl]-3H-indol-1-ium-1-yl]methyl]phenyl]methyl]-2,7-dimethyl-9H-acridine;10-[[4-[[4-[[1-[[4-[(2,7-dimethyl-9H-acridin-10-yl)methyl]phenyl]methyl]-2,3,6-trimethylpyridin-1-ium-4-yl]methyl]-2,3,6-trimethylpyridin-1-ium-1-yl]methyl]phenyl]methyl]-2,7-dimethyl-9H-acridine;ethane;(Z)-1-methyl-N-[(E)-[1-[[4-[[2,3,6-trimethyl-4-[[2,3,6-trimethyl-1-[[4-[[(2Z)-2-[(Z)-(1-methyl-3H-indol-2-ylidene)hydrazinylidene]-3H-indol-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]methyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]-3H-indol-2-ylidene]amino]-3H-indol-2-imine
CID 172962120

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine?
The IUPAC name of (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine (CID 18721017) is (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine.
What is the SMILES notation for (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine?
The canonical SMILES for (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine is CCN1/C(=N\N=C2/Cc3ccccc3N2C)Cc2ccccc21.
What is the InChIKey of (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine?
The InChIKey is HZWVMZMBFUMZTL-FXUQRDQZSA-N. The full InChI is InChI=1S/C19H20N4/c1-3-23-17-11-7-5-9-15(17)13-19(23)21-20-18-12-14-8-4-6-10-16(14)22(18)2/h4-11H,3,12-13H2,1-2H3/b20-18+,21-19-.
What are the key properties of (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine?
(E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine has a molecular weight of 304.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-(1-ethyl-3H-indol-2-ylidene)amino]-1-methyl-3H-indol-2-imine is sourced from PubChem (CID 18721017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).