butanoate;dipropylazanium

C10H23NO2 — CID 139301550

IUPACbutanoate;dipropylazanium
SMILESCCCC(=O)[O-].CCC[NH2+]CCC
InChIInChI=1S/C6H15N.C4H8O2/c1-3-5-7-6-4-2;1-2-3-4(5)6/h7H,3-6H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyHYTOONYCNIDSLH-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.09
Rot. Bonds6

About butanoate;dipropylazanium

butanoate;dipropylazanium (PubChem CID 139301550) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is butanoate;dipropylazanium.

Molecular Properties

Compound Namebutanoate;dipropylazanium
PubChem CID139301550
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Namebutanoate;dipropylazanium
SMILESCCCC(=O)[O-].CCC[NH2+]CCC
InChIInChI=1S/C6H15N.C4H8O2/c1-3-5-7-6-4-2;1-2-3-4(5)6/h7H,3-6H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyHYTOONYCNIDSLH-UHFFFAOYSA-N
XLogP-0.09
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butanoate;dipropylazanium 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 butanoate;dipropylazanium?
The IUPAC name of butanoate;dipropylazanium (CID 139301550) is butanoate;dipropylazanium.
What is the SMILES notation for butanoate;dipropylazanium?
The canonical SMILES for butanoate;dipropylazanium is CCCC(=O)[O-].CCC[NH2+]CCC.
What is the InChIKey of butanoate;dipropylazanium?
The InChIKey is HYTOONYCNIDSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H8O2/c1-3-5-7-6-4-2;1-2-3-4(5)6/h7H,3-6H2,1-2H3;2-3H2,1H3,(H,5,6).
What are the key properties of butanoate;dipropylazanium?
butanoate;dipropylazanium has a molecular weight of 189.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;dipropylazanium is sourced from PubChem (CID 139301550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).