butylidene(dimethyl)azanium;2-ethylhexanoic acid

C14H30NO2+ — CID 161144092

IUPACbutylidene(dimethyl)azanium;2-ethylhexanoic acid
SMILESCCCC=[N+](C)C.CCCCC(CC)C(=O)O
InChIInChI=1S/C8H16O2.C6H14N/c1-3-5-6-7(4-2)8(9)10;1-4-5-6-7(2)3/h7H,3-6H2,1-2H3,(H,9,10);6H,4-5H2,1-3H3/q;+1
InChIKeyKSNJXMPOMBZSKZ-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.42
Rot. Bonds7

About butylidene(dimethyl)azanium;2-ethylhexanoic acid

butylidene(dimethyl)azanium;2-ethylhexanoic acid (PubChem CID 161144092) has the molecular formula C14H30NO2+ and a molecular weight of 244.40 g/mol. Its IUPAC name is butylidene(dimethyl)azanium;2-ethylhexanoic acid.

Molecular Properties

Compound Namebutylidene(dimethyl)azanium;2-ethylhexanoic acid
PubChem CID161144092
Molecular FormulaC14H30NO2+
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Namebutylidene(dimethyl)azanium;2-ethylhexanoic acid
SMILESCCCC=[N+](C)C.CCCCC(CC)C(=O)O
InChIInChI=1S/C8H16O2.C6H14N/c1-3-5-6-7(4-2)8(9)10;1-4-5-6-7(2)3/h7H,3-6H2,1-2H3,(H,9,10);6H,4-5H2,1-3H3/q;+1
InChIKeyKSNJXMPOMBZSKZ-UHFFFAOYSA-N
XLogP3.42
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze butylidene(dimethyl)azanium;2-ethylhexanoic acid 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 butylidene(dimethyl)azanium;2-ethylhexanoic acid?
The IUPAC name of butylidene(dimethyl)azanium;2-ethylhexanoic acid (CID 161144092) is butylidene(dimethyl)azanium;2-ethylhexanoic acid.
What is the SMILES notation for butylidene(dimethyl)azanium;2-ethylhexanoic acid?
The canonical SMILES for butylidene(dimethyl)azanium;2-ethylhexanoic acid is CCCC=[N+](C)C.CCCCC(CC)C(=O)O.
What is the InChIKey of butylidene(dimethyl)azanium;2-ethylhexanoic acid?
The InChIKey is KSNJXMPOMBZSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H14N/c1-3-5-6-7(4-2)8(9)10;1-4-5-6-7(2)3/h7H,3-6H2,1-2H3,(H,9,10);6H,4-5H2,1-3H3/q;+1.
What are the key properties of butylidene(dimethyl)azanium;2-ethylhexanoic acid?
butylidene(dimethyl)azanium;2-ethylhexanoic acid has a molecular weight of 244.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylidene(dimethyl)azanium;2-ethylhexanoic acid is sourced from PubChem (CID 161144092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).