(E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine

C18H18N4 — CID 164880522

IUPAC(E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1ccc2c(c1)CCN2)\c1ccc2c(c1)CNC2
InChIInChI=1S/C18H18N4/c1-3-16-11-19-12-17(16)8-13(1)9-21-22-10-14-2-4-18-15(7-14)5-6-20-18/h1-4,7-10,19-20H,5-6,11-12H2/b21-9+,22-10+
InChIKeyHUTNBJVBFTTYRF-VGENTYGXSA-N
MW290.37 g/mol
LogP2.71
Rot. Bonds3

About (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine

(E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine (PubChem CID 164880522) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine
PubChem CID164880522
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name(E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1ccc2c(c1)CCN2)\c1ccc2c(c1)CNC2
InChIInChI=1S/C18H18N4/c1-3-16-11-19-12-17(16)8-13(1)9-21-22-10-14-2-4-18-15(7-14)5-6-20-18/h1-4,7-10,19-20H,5-6,11-12H2/b21-9+,22-10+
InChIKeyHUTNBJVBFTTYRF-VGENTYGXSA-N
XLogP2.71
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine
CID 119083202
3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine
CID 169463690
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
dimethyl(1,2,3,4-tetrahydroisoquinolin-7-ylmethylidene)-λ4-sulfane
CID 145392798
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol
CID 169453485
ethanol;5-nitroso-2,3-dihydro-1H-indole
CID 19098997
3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-enoic acid
CID 169460589
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
2,3-dihydro-1H-isoindol-5-ol;methanol;yttrium
CID 166486218
6-bromo-2,3-dihydro-1H-indole
CID 13098379
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine (CID 164880522) is (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine is C(=N/N=C/c1ccc2c(c1)CCN2)\c1ccc2c(c1)CNC2.
What is the InChIKey of (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine?
The InChIKey is HUTNBJVBFTTYRF-VGENTYGXSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-16-11-19-12-17(16)8-13(1)9-21-22-10-14-2-4-18-15(7-14)5-6-20-18/h1-4,7-10,19-20H,5-6,11-12H2/b21-9+,22-10+.
What are the key properties of (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine?
(E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine has a molecular weight of 290.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3-dihydro-1H-indol-5-yl)-N-[(E)-2,3-dihydro-1H-isoindol-5-ylmethylideneamino]methanimine is sourced from PubChem (CID 164880522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).