propylazanium;propyl carbonate

C7H17NO3 — CID 142757787

IUPACpropylazanium;propyl carbonate
SMILESCCCOC(=O)[O-].CCC[NH3+]
InChIInChI=1S/C4H8O3.C3H9N/c1-2-3-7-4(5)6;1-2-3-4/h2-3H2,1H3,(H,5,6);2-4H2,1H3
InChIKeyQOCOPFWWEPTJGJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.61
Rot. Bonds3

About propylazanium;propyl carbonate

propylazanium;propyl carbonate (PubChem CID 142757787) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is propylazanium;propyl carbonate.

Molecular Properties

Compound Namepropylazanium;propyl carbonate
PubChem CID142757787
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Namepropylazanium;propyl carbonate
SMILESCCCOC(=O)[O-].CCC[NH3+]
InChIInChI=1S/C4H8O3.C3H9N/c1-2-3-7-4(5)6;1-2-3-4/h2-3H2,1H3,(H,5,6);2-4H2,1H3
InChIKeyQOCOPFWWEPTJGJ-UHFFFAOYSA-N
XLogP-0.61
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(3-aminopropyl) carbonate
CID 15340171
1-Aminopropyl hydrogen carbonate
CID 53710955
2-Aminoethyl methyl carbonate
CID 55288697
2-Aminoethyl ethyl carbonate
CID 56991737
Bis(1-aminoethyl) carbonate
CID 57227763
2-Aminoethyl butyl carbonate
CID 58684243
2-Aminoethyl propyl carbonate
CID 58684522
4-Azaniumylbutyl carbonate
CID 59787340
3-Aminopropyl ethyl carbonate
CID 79338134
Butylazanium;butyl carbonate
CID 87175153
2-Methylpropylazanium;2-methylpropyl carbonate
CID 87175176
Ethylazanium;ethyl carbonate
CID 87175187

Frequently Asked Questions

What is the IUPAC name of propylazanium;propyl carbonate?
The IUPAC name of propylazanium;propyl carbonate (CID 142757787) is propylazanium;propyl carbonate.
What is the SMILES notation for propylazanium;propyl carbonate?
The canonical SMILES for propylazanium;propyl carbonate is CCCOC(=O)[O-].CCC[NH3+].
What is the InChIKey of propylazanium;propyl carbonate?
The InChIKey is QOCOPFWWEPTJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H9N/c1-2-3-7-4(5)6;1-2-3-4/h2-3H2,1H3,(H,5,6);2-4H2,1H3.
What are the key properties of propylazanium;propyl carbonate?
propylazanium;propyl carbonate has a molecular weight of 163.22 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propylazanium;propyl carbonate is sourced from PubChem (CID 142757787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).