di(propan-2-yl)-propylazanium perchlorate

C9H22ClNO4 — CID 139200243

IUPACdi(propan-2-yl)-propylazanium perchlorate
SMILESCCC[NH+](C(C)C)C(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H21N.ClHO4/c1-6-7-10(8(2)3)9(4)5;2-1(3,4)5/h8-9H,6-7H2,1-5H3;(H,2,3,4,5)
InChIKeyRAEJYCHZPTTXQI-UHFFFAOYSA-N
MW243.73 g/mol
LogP-3.66
Rot. Bonds4

About di(propan-2-yl)-propylazanium perchlorate

di(propan-2-yl)-propylazanium perchlorate (PubChem CID 139200243) has the molecular formula C9H22ClNO4 and a molecular weight of 243.73 g/mol. Its IUPAC name is di(propan-2-yl)-propylazanium perchlorate.

Molecular Properties

Compound Namedi(propan-2-yl)-propylazanium perchlorate
PubChem CID139200243
Molecular FormulaC9H22ClNO4
Molecular Weight243.73 g/mol
Exact Mass243.12
IUPAC Namedi(propan-2-yl)-propylazanium perchlorate
SMILESCCC[NH+](C(C)C)C(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H21N.ClHO4/c1-6-7-10(8(2)3)9(4)5;2-1(3,4)5/h8-9H,6-7H2,1-5H3;(H,2,3,4,5)
InChIKeyRAEJYCHZPTTXQI-UHFFFAOYSA-N
XLogP-3.66
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 5-3.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)-propylazanium perchlorate?
The IUPAC name of di(propan-2-yl)-propylazanium perchlorate (CID 139200243) is di(propan-2-yl)-propylazanium perchlorate.
What is the SMILES notation for di(propan-2-yl)-propylazanium perchlorate?
The canonical SMILES for di(propan-2-yl)-propylazanium perchlorate is CCC[NH+](C(C)C)C(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of di(propan-2-yl)-propylazanium perchlorate?
The InChIKey is RAEJYCHZPTTXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.ClHO4/c1-6-7-10(8(2)3)9(4)5;2-1(3,4)5/h8-9H,6-7H2,1-5H3;(H,2,3,4,5).
What are the key properties of di(propan-2-yl)-propylazanium perchlorate?
di(propan-2-yl)-propylazanium perchlorate has a molecular weight of 243.73 g/mol, XLogP of -3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)-propylazanium perchlorate is sourced from PubChem (CID 139200243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).