triethyl(methyl)azanium perchlorate

C7H18ClNO4 — CID 71339722

IUPACtriethyl(methyl)azanium perchlorate
SMILESCC[N+](C)(CC)CC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C7H18N.ClHO4/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyBLRMUYHDGZLDLY-UHFFFAOYSA-M
MW215.68 g/mol
LogP-3.26
Rot. Bonds3

About triethyl(methyl)azanium perchlorate

triethyl(methyl)azanium perchlorate (PubChem CID 71339722) has the molecular formula C7H18ClNO4 and a molecular weight of 215.68 g/mol. Its IUPAC name is triethyl(methyl)azanium perchlorate.

Molecular Properties

Compound Nametriethyl(methyl)azanium perchlorate
PubChem CID71339722
Molecular FormulaC7H18ClNO4
Molecular Weight215.68 g/mol
Exact Mass215.09
IUPAC Nametriethyl(methyl)azanium perchlorate
SMILESCC[N+](C)(CC)CC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C7H18N.ClHO4/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyBLRMUYHDGZLDLY-UHFFFAOYSA-M
XLogP-3.26
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 5-3.26
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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Frequently Asked Questions

What is the IUPAC name of triethyl(methyl)azanium perchlorate?
The IUPAC name of triethyl(methyl)azanium perchlorate (CID 71339722) is triethyl(methyl)azanium perchlorate.
What is the SMILES notation for triethyl(methyl)azanium perchlorate?
The canonical SMILES for triethyl(methyl)azanium perchlorate is CC[N+](C)(CC)CC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of triethyl(methyl)azanium perchlorate?
The InChIKey is BLRMUYHDGZLDLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N.ClHO4/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of triethyl(methyl)azanium perchlorate?
triethyl(methyl)azanium perchlorate has a molecular weight of 215.68 g/mol, XLogP of -3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(methyl)azanium perchlorate is sourced from PubChem (CID 71339722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).