didecyl(dipropyl)azanium chloride

C26H56ClN — CID 16747386

IUPACdidecyl(dipropyl)azanium chloride
SMILESCCCCCCCCCC[N+](CCC)(CCC)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C26H56N.ClH/c1-5-9-11-13-15-17-19-21-25-27(23-7-3,24-8-4)26-22-20-18-16-14-12-10-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
InChIKeyVCOJBKCJGMJOMY-UHFFFAOYSA-M
MW418.19 g/mol
LogP5.91
Rot. Bonds22

About didecyl(dipropyl)azanium chloride

didecyl(dipropyl)azanium chloride (PubChem CID 16747386) has the molecular formula C26H56ClN and a molecular weight of 418.19 g/mol. Its IUPAC name is didecyl(dipropyl)azanium chloride.

Molecular Properties

Compound Namedidecyl(dipropyl)azanium chloride
PubChem CID16747386
Molecular FormulaC26H56ClN
Molecular Weight418.19 g/mol
Exact Mass417.41
IUPAC Namedidecyl(dipropyl)azanium chloride
SMILESCCCCCCCCCC[N+](CCC)(CCC)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C26H56N.ClH/c1-5-9-11-13-15-17-19-21-25-27(23-7-3,24-8-4)26-22-20-18-16-14-12-10-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
InChIKeyVCOJBKCJGMJOMY-UHFFFAOYSA-M
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.19
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

propyl-tri(tetradecyl)azanium
CID 22408967
dihexyl(dipropyl)azanium
CID 23088856
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
propyl-tri(undecyl)azanium
CID 54352857
butyl-dipentyl-propylazanium chloride
CID 88839521
tripropyl(tetracosyl)azanium bromide
CID 153322910
dibutyl-hexadecyl-propylazanium
CID 87194483
dodecyl(tripropyl)azanium hydroxide
CID 19814016
diheptyl(dioctyl)azanium chloride
CID 87777237
trihexyl-[12-(trihexylazaniumyl)dodecyl]azanium dichloride
CID 11505983
tetra(undecyl)azanium chloride
CID 86229497
tetradodecylazanium chloride
CID 14029864

Frequently Asked Questions

What is the IUPAC name of didecyl(dipropyl)azanium chloride?
The IUPAC name of didecyl(dipropyl)azanium chloride (CID 16747386) is didecyl(dipropyl)azanium chloride.
What is the SMILES notation for didecyl(dipropyl)azanium chloride?
The canonical SMILES for didecyl(dipropyl)azanium chloride is CCCCCCCCCC[N+](CCC)(CCC)CCCCCCCCCC.[Cl-].
What is the InChIKey of didecyl(dipropyl)azanium chloride?
The InChIKey is VCOJBKCJGMJOMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H56N.ClH/c1-5-9-11-13-15-17-19-21-25-27(23-7-3,24-8-4)26-22-20-18-16-14-12-10-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1.
What are the key properties of didecyl(dipropyl)azanium chloride?
didecyl(dipropyl)azanium chloride has a molecular weight of 418.19 g/mol, XLogP of 5.91, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl(dipropyl)azanium chloride is sourced from PubChem (CID 16747386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).