2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine

C18H28N2 — CID 123990770

IUPAC2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine
SMILESCC=c1c2c(n(C)c1=C/C=N/C)CCC(C(C)(C)C)C2
InChIInChI=1S/C18H28N2/c1-7-14-15-12-13(18(2,3)4)8-9-16(15)20(6)17(14)10-11-19-5/h7,10-11,13H,8-9,12H2,1-6H3/b14-7?,17-10?,19-11+
InChIKeyFOHZWAHROQCDIJ-BFQLTMIPSA-N
MW272.44 g/mol
LogP2.46
Rot. Bonds1

About 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine

2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine (PubChem CID 123990770) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine.

Molecular Properties

Compound Name2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine
PubChem CID123990770
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine
SMILESCC=c1c2c(n(C)c1=C/C=N/C)CCC(C(C)(C)C)C2
InChIInChI=1S/C18H28N2/c1-7-14-15-12-13(18(2,3)4)8-9-16(15)20(6)17(14)10-11-19-5/h7,10-11,13H,8-9,12H2,1-6H3/b14-7?,17-10?,19-11+
InChIKeyFOHZWAHROQCDIJ-BFQLTMIPSA-N
XLogP2.46
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine?
The IUPAC name of 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine (CID 123990770) is 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine.
What is the SMILES notation for 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine?
The canonical SMILES for 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine is CC=c1c2c(n(C)c1=C/C=N/C)CCC(C(C)(C)C)C2.
What is the InChIKey of 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine?
The InChIKey is FOHZWAHROQCDIJ-BFQLTMIPSA-N. The full InChI is InChI=1S/C18H28N2/c1-7-14-15-12-13(18(2,3)4)8-9-16(15)20(6)17(14)10-11-19-5/h7,10-11,13H,8-9,12H2,1-6H3/b14-7?,17-10?,19-11+.
What are the key properties of 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine?
2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine has a molecular weight of 272.44 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydroindol-2-ylidene)-N-methylethanimine is sourced from PubChem (CID 123990770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).