N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine

C16H22N2 — CID 136503503

IUPACN-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine
SMILESCCC1CCC(/N=C2\Cc3ccccc3N2)CC1
InChIInChI=1S/C16H22N2/c1-2-12-7-9-14(10-8-12)17-16-11-13-5-3-4-6-15(13)18-16/h3-6,12,14H,2,7-11H2,1H3,(H,17,18)
InChIKeyJQFGSSIBQYXLNF-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.02
Rot. Bonds2

About N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine

N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine (PubChem CID 136503503) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine
PubChem CID136503503
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine
SMILESCCC1CCC(/N=C2\Cc3ccccc3N2)CC1
InChIInChI=1S/C16H22N2/c1-2-12-7-9-14(10-8-12)17-16-11-13-5-3-4-6-15(13)18-16/h3-6,12,14H,2,7-11H2,1H3,(H,17,18)
InChIKeyJQFGSSIBQYXLNF-UHFFFAOYSA-N
XLogP4.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine?
The IUPAC name of N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine (CID 136503503) is N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine?
The canonical SMILES for N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine is CCC1CCC(/N=C2\Cc3ccccc3N2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine?
The InChIKey is JQFGSSIBQYXLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-12-7-9-14(10-8-12)17-16-11-13-5-3-4-6-15(13)18-16/h3-6,12,14H,2,7-11H2,1H3,(H,17,18).
What are the key properties of N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine?
N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine has a molecular weight of 242.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine is sourced from PubChem (CID 136503503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).