dipropylazanium acetate

C8H19NO2 — CID 22623602

IUPACdipropylazanium acetate
SMILESCC(=O)[O-].CCC[NH2+]CCC
InChIInChI=1S/C6H15N.C2H4O2/c1-3-5-7-6-4-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyLKDMDHMCNGRIAS-UHFFFAOYSA-N
MW161.25 g/mol
LogP-0.87
Rot. Bonds4

About dipropylazanium acetate

dipropylazanium acetate (PubChem CID 22623602) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is dipropylazanium acetate.

Molecular Properties

Compound Namedipropylazanium acetate
PubChem CID22623602
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Namedipropylazanium acetate
SMILESCC(=O)[O-].CCC[NH2+]CCC
InChIInChI=1S/C6H15N.C2H4O2/c1-3-5-7-6-4-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyLKDMDHMCNGRIAS-UHFFFAOYSA-N
XLogP-0.87
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dihexylamine acetate
CID 16218764
Dipropylammonium Trifluoroacetate
CID 71345163
Dibutylammonium-trifluoracetat
CID 129658577
Methyl 3-(butylamino)propanoate
CID 15828524
Acetic acid--N~1~,N~4~-bis(3-aminopropyl)butane-1,4-diamine (1/1)
CID 23320275
N-Hexylhexan-1-aminium acetate
CID 44630082
Tripropylazanium acetate
CID 73556154
Diethylazanium acetate
CID 87242293
3-[Bis(2-methylpropyl)azaniumyl]propanoate
CID 2057164
Dipropylammonium-trifluor-acetat
CID 71673336
Dibutylammonium Acetate
CID 11052426
Triethyl ammonium acetate
CID 11073729

Frequently Asked Questions

What is the IUPAC name of dipropylazanium acetate?
The IUPAC name of dipropylazanium acetate (CID 22623602) is dipropylazanium acetate.
What is the SMILES notation for dipropylazanium acetate?
The canonical SMILES for dipropylazanium acetate is CC(=O)[O-].CCC[NH2+]CCC.
What is the InChIKey of dipropylazanium acetate?
The InChIKey is LKDMDHMCNGRIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H4O2/c1-3-5-7-6-4-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of dipropylazanium acetate?
dipropylazanium acetate has a molecular weight of 161.25 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylazanium acetate is sourced from PubChem (CID 22623602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).