triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium

C20H44N4O2+2 — CID 6433529

IUPACtriethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium
SMILESCC[N+](CC)(CC)CCCO/N=C\C=N/OCCC[N+](CC)(CC)CC
InChIInChI=1S/C20H44N4O2/c1-7-23(8-2,9-3)17-13-19-25-21-15-16-22-26-20-14-18-24(10-4,11-5)12-6/h15-16H,7-14,17-20H2,1-6H3/q+2/b21-15-,22-16-
InChIKeyGTLILYCCTCBYFY-BMJUYKDLSA-N
MW372.60 g/mol
LogP3.52
Rot. Bonds17

About triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium

triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium (PubChem CID 6433529) has the molecular formula C20H44N4O2+2 and a molecular weight of 372.60 g/mol. Its IUPAC name is triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium.

Molecular Properties

Compound Nametriethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium
PubChem CID6433529
Molecular FormulaC20H44N4O2+2
Molecular Weight372.60 g/mol
Exact Mass372.35
IUPAC Nametriethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium
SMILESCC[N+](CC)(CC)CCCO/N=C\C=N/OCCC[N+](CC)(CC)CC
InChIInChI=1S/C20H44N4O2/c1-7-23(8-2,9-3)17-13-19-25-21-15-16-22-26-20-14-18-24(10-4,11-5)12-6/h15-16H,7-14,17-20H2,1-6H3/q+2/b21-15-,22-16-
InChIKeyGTLILYCCTCBYFY-BMJUYKDLSA-N
XLogP3.52
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-dipentoxyethane-1,2-diimine
CID 118112396
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
triethyl-[3-[2-(2-methoxyethoxy)ethoxy]propyl]azanium
CID 135364479
triethyl(pent-4-enyl)azanium
CID 87500309
triethyl-[15-(triethylazaniumyl)pentadecyl]azanium diiodide
CID 24840909
(E)-N-propoxyprop-2-en-1-imine
CID 10057470
triethyl(3-prop-2-enoyloxypropyl)azanium iodide
CID 141332057
(E)-N-pentoxypentan-1-imine
CID 18714719
15-carboxypentadecyl(triethyl)azanium
CID 87850575
triethyl(2-methoxyethyl)azanium
CID 3026728
triethyl(tetradecyl)azanium
CID 28911
triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
CID 54612490

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium?
The IUPAC name of triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium (CID 6433529) is triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium.
What is the SMILES notation for triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium?
The canonical SMILES for triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium is CC[N+](CC)(CC)CCCO/N=C\C=N/OCCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium?
The InChIKey is GTLILYCCTCBYFY-BMJUYKDLSA-N. The full InChI is InChI=1S/C20H44N4O2/c1-7-23(8-2,9-3)17-13-19-25-21-15-16-22-26-20-14-18-24(10-4,11-5)12-6/h15-16H,7-14,17-20H2,1-6H3/q+2/b21-15-,22-16-.
What are the key properties of triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium?
triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium has a molecular weight of 372.60 g/mol, XLogP of 3.52, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium is sourced from PubChem (CID 6433529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).