diethylazanium;propane

C7H20N+ — CID 22646025

IUPACdiethylazanium;propane
SMILESCCC.CC[NH2+]CC
InChIInChI=1S/C4H11N.C3H8/c1-3-5-4-2;1-3-2/h5H,3-4H2,1-2H3;3H2,1-2H3/p+1
InChIKeyDVCWHHPODMXDAM-UHFFFAOYSA-O
MW118.24 g/mol
LogP1.01
Rot. Bonds2

About diethylazanium;propane

diethylazanium;propane (PubChem CID 22646025) has the molecular formula C7H20N+ and a molecular weight of 118.24 g/mol. Its IUPAC name is diethylazanium;propane.

Molecular Properties

Compound Namediethylazanium;propane
PubChem CID22646025
Molecular FormulaC7H20N+
Molecular Weight118.24 g/mol
Exact Mass118.16
IUPAC Namediethylazanium;propane
SMILESCCC.CC[NH2+]CC
InChIInChI=1S/C4H11N.C3H8/c1-3-5-4-2;1-3-2/h5H,3-4H2,1-2H3;3H2,1-2H3/p+1
InChIKeyDVCWHHPODMXDAM-UHFFFAOYSA-O
XLogP1.01
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

ethyl-[(ethylazaniumyl)methyl]azanium
CID 140844105
2-azaniumylethyl(ethyl)azanium dibromide
CID 160800492
europium;propane
CID 174351611
propane;ruthenium
CID 161061794
copper;propane
CID 159395647
CID 159053021
CID 159053021
methane;propane
CID 162082112
propane trihydroxide
CID 18172989
diethylazanium;N,N-diethylcarbamodiselenoate
CID 134889980
methane;propane
CID 160994941
sodium propane
CID 18410128
ethyl(tridecyl)azanium iodide
CID 88651524

Frequently Asked Questions

What is the IUPAC name of diethylazanium;propane?
The IUPAC name of diethylazanium;propane (CID 22646025) is diethylazanium;propane.
What is the SMILES notation for diethylazanium;propane?
The canonical SMILES for diethylazanium;propane is CCC.CC[NH2+]CC.
What is the InChIKey of diethylazanium;propane?
The InChIKey is DVCWHHPODMXDAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N.C3H8/c1-3-5-4-2;1-3-2/h5H,3-4H2,1-2H3;3H2,1-2H3/p+1.
What are the key properties of diethylazanium;propane?
diethylazanium;propane has a molecular weight of 118.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium;propane is sourced from PubChem (CID 22646025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).