[(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium

C19H27N2+ — CID 59004899

IUPAC[(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium
SMILESC[N+](C)=C/C=C1/N(C2CCCC2)c2ccccc2C1(C)C
InChIInChI=1S/C19H27N2/c1-19(2)16-11-7-8-12-17(16)21(15-9-5-6-10-15)18(19)13-14-20(3)4/h7-8,11-15H,5-6,9-10H2,1-4H3/q+1
InChIKeyYEJTUFXWWSEEJH-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.95
Rot. Bonds2

About [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium

[(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium (PubChem CID 59004899) has the molecular formula C19H27N2+ and a molecular weight of 283.44 g/mol. Its IUPAC name is [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium.

Molecular Properties

Compound Name[(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium
PubChem CID59004899
Molecular FormulaC19H27N2+
Molecular Weight283.44 g/mol
Exact Mass283.22
IUPAC Name[(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium
SMILESC[N+](C)=C/C=C1/N(C2CCCC2)c2ccccc2C1(C)C
InChIInChI=1S/C19H27N2/c1-19(2)16-11-7-8-12-17(16)21(15-9-5-6-10-15)18(19)13-14-20(3)4/h7-8,11-15H,5-6,9-10H2,1-4H3/q+1
InChIKeyYEJTUFXWWSEEJH-UHFFFAOYSA-N
XLogP3.95
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium?
The IUPAC name of [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium (CID 59004899) is [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium.
What is the SMILES notation for [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium?
The canonical SMILES for [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium is C[N+](C)=C/C=C1/N(C2CCCC2)c2ccccc2C1(C)C.
What is the InChIKey of [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium?
The InChIKey is YEJTUFXWWSEEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N2/c1-19(2)16-11-7-8-12-17(16)21(15-9-5-6-10-15)18(19)13-14-20(3)4/h7-8,11-15H,5-6,9-10H2,1-4H3/q+1.
What are the key properties of [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium?
[(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium has a molecular weight of 283.44 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium is sourced from PubChem (CID 59004899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).