diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium

C13H22N3+ — CID 6943956

IUPACdiethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium
SMILESCC[NH+](CC)C/C(C)=N\Nc1ccccc1
InChIInChI=1S/C13H21N3/c1-4-16(5-2)11-12(3)14-15-13-9-7-6-8-10-13/h6-10,15H,4-5,11H2,1-3H3/p+1/b14-12-
InChIKeySHBRHXIRAAZLAA-OWBHPGMISA-O
MW220.34 g/mol
LogP1.40
Rot. Bonds6

About diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium

diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium (PubChem CID 6943956) has the molecular formula C13H22N3+ and a molecular weight of 220.34 g/mol. Its IUPAC name is diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium.

Molecular Properties

Compound Namediethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium
PubChem CID6943956
Molecular FormulaC13H22N3+
Molecular Weight220.34 g/mol
Exact Mass220.18
IUPAC Namediethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium
SMILESCC[NH+](CC)C/C(C)=N\Nc1ccccc1
InChIInChI=1S/C13H21N3/c1-4-16(5-2)11-12(3)14-15-13-9-7-6-8-10-13/h6-10,15H,4-5,11H2,1-3H3/p+1/b14-12-
InChIKeySHBRHXIRAAZLAA-OWBHPGMISA-O
XLogP1.40
TPSA28.83 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium?
The IUPAC name of diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium (CID 6943956) is diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium.
What is the SMILES notation for diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium?
The canonical SMILES for diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium is CC[NH+](CC)C/C(C)=N\Nc1ccccc1.
What is the InChIKey of diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium?
The InChIKey is SHBRHXIRAAZLAA-OWBHPGMISA-O. The full InChI is InChI=1S/C13H21N3/c1-4-16(5-2)11-12(3)14-15-13-9-7-6-8-10-13/h6-10,15H,4-5,11H2,1-3H3/p+1/b14-12-.
What are the key properties of diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium?
diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium has a molecular weight of 220.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(2Z)-2-(phenylhydrazinylidene)propyl]azanium is sourced from PubChem (CID 6943956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).