triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium

C18H42N2O+2 — CID 22114479

IUPACtriethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium
SMILESCCC(OC(CC)[N+](CC)(CC)CC)[N+](CC)(CC)CC
InChIInChI=1S/C18H42N2O/c1-9-17(19(11-3,12-4)13-5)21-18(10-2)20(14-6,15-7)16-8/h17-18H,9-16H2,1-8H3/q+2
InChIKeyQKZLSYUEFADXAN-UHFFFAOYSA-N
MW302.55 g/mol
LogP4.23
Rot. Bonds12

About triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium

triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium (PubChem CID 22114479) has the molecular formula C18H42N2O+2 and a molecular weight of 302.55 g/mol. Its IUPAC name is triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium.

Molecular Properties

Compound Nametriethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium
PubChem CID22114479
Molecular FormulaC18H42N2O+2
Molecular Weight302.55 g/mol
Exact Mass302.33
IUPAC Nametriethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium
SMILESCCC(OC(CC)[N+](CC)(CC)CC)[N+](CC)(CC)CC
InChIInChI=1S/C18H42N2O/c1-9-17(19(11-3,12-4)13-5)21-18(10-2)20(14-6,15-7)16-8/h17-18H,9-16H2,1-8H3/q+2
InChIKeyQKZLSYUEFADXAN-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 45802
CID 45802
CID 45817
CID 45817
CID 46893
CID 46893
CID 46895
CID 46895
CID 46897
CID 46897
CID 21932593
CID 21932593
CID 46898
CID 46898
CID 46904
CID 46904
CID 45732
CID 45732
CID 45734
CID 45734
CID 45803
CID 45803
CID 45818
CID 45818

Frequently Asked Questions

What is the IUPAC name of triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium?
The IUPAC name of triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium (CID 22114479) is triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium.
What is the SMILES notation for triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium?
The canonical SMILES for triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium is CCC(OC(CC)[N+](CC)(CC)CC)[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium?
The InChIKey is QKZLSYUEFADXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N2O/c1-9-17(19(11-3,12-4)13-5)21-18(10-2)20(14-6,15-7)16-8/h17-18H,9-16H2,1-8H3/q+2.
What are the key properties of triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium?
triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium has a molecular weight of 302.55 g/mol, XLogP of 4.23, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium is sourced from PubChem (CID 22114479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).