triethyl(propyl)azanium perchlorate

C9H22ClNO4 — CID 71332093

IUPACtriethyl(propyl)azanium perchlorate
SMILESCCC[N+](CC)(CC)CC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H22N.ClHO4/c1-5-9-10(6-2,7-3)8-4;2-1(3,4)5/h5-9H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyJZGLWTZVDHCKKH-UHFFFAOYSA-M
MW243.73 g/mol
LogP-2.48
Rot. Bonds5

About triethyl(propyl)azanium perchlorate

triethyl(propyl)azanium perchlorate (PubChem CID 71332093) has the molecular formula C9H22ClNO4 and a molecular weight of 243.73 g/mol. Its IUPAC name is triethyl(propyl)azanium perchlorate.

Molecular Properties

Compound Nametriethyl(propyl)azanium perchlorate
PubChem CID71332093
Molecular FormulaC9H22ClNO4
Molecular Weight243.73 g/mol
Exact Mass243.12
IUPAC Nametriethyl(propyl)azanium perchlorate
SMILESCCC[N+](CC)(CC)CC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H22N.ClHO4/c1-5-9-10(6-2,7-3)8-4;2-1(3,4)5/h5-9H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyJZGLWTZVDHCKKH-UHFFFAOYSA-M
XLogP-2.48
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(triethyl(propyl)azanium);sulfate
CID 175166373
triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
CID 54612490
antimony(3+);tetrapropylazanium
CID 18954503
tetrapropylazanium periodate
CID 3020483
hydroxymethyl(tripropyl)azanium
CID 54406855
dibutyl-ethyl-propylazanium hydroxide
CID 126618313
diheptyl(dihexyl)azanium perchlorate
CID 57349972
tetrabutylazanium;perchlorate;hydrobromide
CID 173079032
manganese;oxygen(2-);tetrapropylazanium
CID 159090995
tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)
CID 173136039
tetrapropylazanium;bromide;hydrobromide
CID 87689277
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113

Frequently Asked Questions

What is the IUPAC name of triethyl(propyl)azanium perchlorate?
The IUPAC name of triethyl(propyl)azanium perchlorate (CID 71332093) is triethyl(propyl)azanium perchlorate.
What is the SMILES notation for triethyl(propyl)azanium perchlorate?
The canonical SMILES for triethyl(propyl)azanium perchlorate is CCC[N+](CC)(CC)CC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of triethyl(propyl)azanium perchlorate?
The InChIKey is JZGLWTZVDHCKKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22N.ClHO4/c1-5-9-10(6-2,7-3)8-4;2-1(3,4)5/h5-9H2,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of triethyl(propyl)azanium perchlorate?
triethyl(propyl)azanium perchlorate has a molecular weight of 243.73 g/mol, XLogP of -2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(propyl)azanium perchlorate is sourced from PubChem (CID 71332093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).