dipropylazanium;propanoate

C9H21NO2 — CID 139301420

IUPACdipropylazanium;propanoate
SMILESCCC(=O)[O-].CCC[NH2+]CCC
InChIInChI=1S/C6H15N.C3H6O2/c1-3-5-7-6-4-2;1-2-3(4)5/h7H,3-6H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyNFGZPYVLFUINBQ-UHFFFAOYSA-N
MW175.27 g/mol
LogP-0.48
Rot. Bonds5

About dipropylazanium;propanoate

dipropylazanium;propanoate (PubChem CID 139301420) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is dipropylazanium;propanoate.

Molecular Properties

Compound Namedipropylazanium;propanoate
PubChem CID139301420
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Namedipropylazanium;propanoate
SMILESCCC(=O)[O-].CCC[NH2+]CCC
InChIInChI=1S/C6H15N.C3H6O2/c1-3-5-7-6-4-2;1-2-3(4)5/h7H,3-6H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyNFGZPYVLFUINBQ-UHFFFAOYSA-N
XLogP-0.48
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dipropylazanium;propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipropylazanium;propanoate?
The IUPAC name of dipropylazanium;propanoate (CID 139301420) is dipropylazanium;propanoate.
What is the SMILES notation for dipropylazanium;propanoate?
The canonical SMILES for dipropylazanium;propanoate is CCC(=O)[O-].CCC[NH2+]CCC.
What is the InChIKey of dipropylazanium;propanoate?
The InChIKey is NFGZPYVLFUINBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H6O2/c1-3-5-7-6-4-2;1-2-3(4)5/h7H,3-6H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of dipropylazanium;propanoate?
dipropylazanium;propanoate has a molecular weight of 175.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylazanium;propanoate is sourced from PubChem (CID 139301420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).