dipentylazanium acetate

C12H27NO2 — CID 44630081

IUPACdipentylazanium acetate
SMILESCC(=O)[O-].CCCCC[NH2+]CCCCC
InChIInChI=1S/C10H23N.C2H4O2/c1-3-5-7-9-11-10-8-6-4-2;1-2(3)4/h11H,3-10H2,1-2H3;1H3,(H,3,4)
InChIKeyIPBJPAHGLXFUDS-UHFFFAOYSA-N
MW217.35 g/mol
LogP0.69
Rot. Bonds8

About dipentylazanium acetate

dipentylazanium acetate (PubChem CID 44630081) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is dipentylazanium acetate.

Molecular Properties

Compound Namedipentylazanium acetate
PubChem CID44630081
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Namedipentylazanium acetate
SMILESCC(=O)[O-].CCCCC[NH2+]CCCCC
InChIInChI=1S/C10H23N.C2H4O2/c1-3-5-7-9-11-10-8-6-4-2;1-2(3)4/h11H,3-10H2,1-2H3;1H3,(H,3,4)
InChIKeyIPBJPAHGLXFUDS-UHFFFAOYSA-N
XLogP0.69
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 50.69
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
Dibutylammonium-trifluoracetat
CID 129658577
Piperidinium acetate
CID 3014295
N-Hexylhexan-1-aminium acetate
CID 44630082
Tripropylazanium acetate
CID 73556154
3-(Dodecylammonio)-propionate
CID 59269989
Diamylammonium-trifluoracetat
CID 71673338
Dibutylammonium Acetate
CID 11052426
Dibutylamine Acetate
CID 12998343
Tributylammoniumacetat
CID 21885809
Spermidine acetate
CID 22024017
Dipropylammonium Acetate
CID 22623602

Frequently Asked Questions

What is the IUPAC name of dipentylazanium acetate?
The IUPAC name of dipentylazanium acetate (CID 44630081) is dipentylazanium acetate.
What is the SMILES notation for dipentylazanium acetate?
The canonical SMILES for dipentylazanium acetate is CC(=O)[O-].CCCCC[NH2+]CCCCC.
What is the InChIKey of dipentylazanium acetate?
The InChIKey is IPBJPAHGLXFUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C2H4O2/c1-3-5-7-9-11-10-8-6-4-2;1-2(3)4/h11H,3-10H2,1-2H3;1H3,(H,3,4).
What are the key properties of dipentylazanium acetate?
dipentylazanium acetate has a molecular weight of 217.35 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipentylazanium acetate is sourced from PubChem (CID 44630081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).