ethyl-di(propan-2-yl)azanium perchlorate

C8H20ClNO4 — CID 10857252

IUPACethyl-di(propan-2-yl)azanium perchlorate
SMILESCC[NH+](C(C)C)C(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H19N.ClHO4/c1-6-9(7(2)3)8(4)5;2-1(3,4)5/h7-8H,6H2,1-5H3;(H,2,3,4,5)
InChIKeyAJPVKJWTZFNNFS-UHFFFAOYSA-N
MW229.70 g/mol
LogP-4.05
Rot. Bonds3

About ethyl-di(propan-2-yl)azanium perchlorate

ethyl-di(propan-2-yl)azanium perchlorate (PubChem CID 10857252) has the molecular formula C8H20ClNO4 and a molecular weight of 229.70 g/mol. Its IUPAC name is ethyl-di(propan-2-yl)azanium perchlorate.

Molecular Properties

Compound Nameethyl-di(propan-2-yl)azanium perchlorate
PubChem CID10857252
Molecular FormulaC8H20ClNO4
Molecular Weight229.70 g/mol
Exact Mass229.11
IUPAC Nameethyl-di(propan-2-yl)azanium perchlorate
SMILESCC[NH+](C(C)C)C(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H19N.ClHO4/c1-6-9(7(2)3)8(4)5;2-1(3,4)5/h7-8H,6H2,1-5H3;(H,2,3,4,5)
InChIKeyAJPVKJWTZFNNFS-UHFFFAOYSA-N
XLogP-4.05
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.70
LogP ≤ 5-4.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl-di(propan-2-yl)azanium perchlorate?
The IUPAC name of ethyl-di(propan-2-yl)azanium perchlorate (CID 10857252) is ethyl-di(propan-2-yl)azanium perchlorate.
What is the SMILES notation for ethyl-di(propan-2-yl)azanium perchlorate?
The canonical SMILES for ethyl-di(propan-2-yl)azanium perchlorate is CC[NH+](C(C)C)C(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of ethyl-di(propan-2-yl)azanium perchlorate?
The InChIKey is AJPVKJWTZFNNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.ClHO4/c1-6-9(7(2)3)8(4)5;2-1(3,4)5/h7-8H,6H2,1-5H3;(H,2,3,4,5).
What are the key properties of ethyl-di(propan-2-yl)azanium perchlorate?
ethyl-di(propan-2-yl)azanium perchlorate has a molecular weight of 229.70 g/mol, XLogP of -4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-di(propan-2-yl)azanium perchlorate is sourced from PubChem (CID 10857252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).