dibutylazanium acetate

C10H23NO2 — CID 11052426

IUPACdibutylazanium acetate
SMILESCC(=O)[O-].CCCC[NH2+]CCCC
InChIInChI=1S/C8H19N.C2H4O2/c1-3-5-7-9-8-6-4-2;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H,3,4)
InChIKeyMQFIKAWTCOXAAY-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.09
Rot. Bonds6

About dibutylazanium acetate

dibutylazanium acetate (PubChem CID 11052426) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is dibutylazanium acetate.

Molecular Properties

Compound Namedibutylazanium acetate
PubChem CID11052426
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Namedibutylazanium acetate
SMILESCC(=O)[O-].CCCC[NH2+]CCCC
InChIInChI=1S/C8H19N.C2H4O2/c1-3-5-7-9-8-6-4-2;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H,3,4)
InChIKeyMQFIKAWTCOXAAY-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'}

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Related Compounds

Dibutylamine Trifluoroacetate
CID 85784713
Dihexylamine acetate
CID 16218764
N-(2-carboxyethyl)spermidine
CID 156621395
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
Dipropylammonium-trifluor-acetat
CID 71673336
Diamylammonium-trifluoracetat
CID 71673338
Triethyl ammonium acetate
CID 11073729

Frequently Asked Questions

What is the IUPAC name of dibutylazanium acetate?
The IUPAC name of dibutylazanium acetate (CID 11052426) is dibutylazanium acetate.
What is the SMILES notation for dibutylazanium acetate?
The canonical SMILES for dibutylazanium acetate is CC(=O)[O-].CCCC[NH2+]CCCC.
What is the InChIKey of dibutylazanium acetate?
The InChIKey is MQFIKAWTCOXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H4O2/c1-3-5-7-9-8-6-4-2;1-2(3)4/h9H,3-8H2,1-2H3;1H3,(H,3,4).
What are the key properties of dibutylazanium acetate?
dibutylazanium acetate 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 dibutylazanium acetate is sourced from PubChem (CID 11052426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).