butyl(tripentyl)azanium

C19H42N+ — CID 14022644

IUPACbutyl(tripentyl)azanium
SMILESCCCCC[N+](CCCC)(CCCCC)CCCCC
InChIInChI=1S/C19H42N/c1-5-9-13-17-20(16-12-8-4,18-14-10-6-2)19-15-11-7-3/h5-19H2,1-4H3/q+1
InChIKeyUUCVSMIZOZNNDM-UHFFFAOYSA-N
MW284.55 g/mol
LogP6.17
Rot. Bonds15

About butyl(tripentyl)azanium

butyl(tripentyl)azanium (PubChem CID 14022644) has the molecular formula C19H42N+ and a molecular weight of 284.55 g/mol. Its IUPAC name is butyl(tripentyl)azanium.

Molecular Properties

Compound Namebutyl(tripentyl)azanium
PubChem CID14022644
Molecular FormulaC19H42N+
Molecular Weight284.55 g/mol
Exact Mass284.33
IUPAC Namebutyl(tripentyl)azanium
SMILESCCCCC[N+](CCCC)(CCCCC)CCCCC
InChIInChI=1S/C19H42N/c1-5-9-13-17-20(16-12-8-4,18-14-10-6-2)19-15-11-7-3/h5-19H2,1-4H3/q+1
InChIKeyUUCVSMIZOZNNDM-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.55
LogP ≤ 56.17
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

tributyl(hexadecyl)azanium
CID 3083031
dibutyl(diheptyl)azanium
CID 87534229
tributyl(heptyl)azanium
CID 5003685
tributyl(triacontyl)azanium
CID 153322884
tributyl(dodecyl)azanium bromide
CID 19858509
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
dibutyl(dihexadecyl)azanium chloride
CID 87778770
dibutyl(dihexadecyl)azanium bromide
CID 87776722
tributyl(octacosyl)azanium bromide
CID 153322850
octyl-tri(pentadecyl)azanium
CID 87809127
tri(heptadecyl)-octylazanium
CID 87809516

Frequently Asked Questions

What is the IUPAC name of butyl(tripentyl)azanium?
The IUPAC name of butyl(tripentyl)azanium (CID 14022644) is butyl(tripentyl)azanium.
What is the SMILES notation for butyl(tripentyl)azanium?
The canonical SMILES for butyl(tripentyl)azanium is CCCCC[N+](CCCC)(CCCCC)CCCCC.
What is the InChIKey of butyl(tripentyl)azanium?
The InChIKey is UUCVSMIZOZNNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N/c1-5-9-13-17-20(16-12-8-4,18-14-10-6-2)19-15-11-7-3/h5-19H2,1-4H3/q+1.
What are the key properties of butyl(tripentyl)azanium?
butyl(tripentyl)azanium has a molecular weight of 284.55 g/mol, XLogP of 6.17, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(tripentyl)azanium is sourced from PubChem (CID 14022644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).