dibutyl-methoxy-pentylazanium

C14H32NO+ — CID 174501319

IUPACdibutyl-methoxy-pentylazanium
SMILESCCCCC[N+](CCCC)(CCCC)OC
InChIInChI=1S/C14H32NO/c1-5-8-11-14-15(16-4,12-9-6-2)13-10-7-3/h5-14H2,1-4H3/q+1
InChIKeyRTGCLFLTWKYXLN-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.16
Rot. Bonds11

About dibutyl-methoxy-pentylazanium

dibutyl-methoxy-pentylazanium (PubChem CID 174501319) has the molecular formula C14H32NO+ and a molecular weight of 230.42 g/mol. Its IUPAC name is dibutyl-methoxy-pentylazanium.

Molecular Properties

Compound Namedibutyl-methoxy-pentylazanium
PubChem CID174501319
Molecular FormulaC14H32NO+
Molecular Weight230.42 g/mol
Exact Mass230.25
IUPAC Namedibutyl-methoxy-pentylazanium
SMILESCCCCC[N+](CCCC)(CCCC)OC
InChIInChI=1S/C14H32NO/c1-5-8-11-14-15(16-4,12-9-6-2)13-10-7-3/h5-14H2,1-4H3/q+1
InChIKeyRTGCLFLTWKYXLN-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-methoxy-dioctylazanium;propanoate
CID 19091174
butyl(tripentyl)azanium
CID 14022644
tributyl(triacontyl)azanium
CID 153322884
tributyl(hexadecyl)azanium
CID 3083031
dibutyl(diheptyl)azanium
CID 87534229
tributyl(heptyl)azanium
CID 5003685
dibutyl-methyl-pentylazanium
CID 21452154
tributyl(dodecyl)azanium bromide
CID 19858509
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
dibutyl(dihexadecyl)azanium bromide
CID 87776722
dibutyl(dihexadecyl)azanium chloride
CID 87778770

Frequently Asked Questions

What is the IUPAC name of dibutyl-methoxy-pentylazanium?
The IUPAC name of dibutyl-methoxy-pentylazanium (CID 174501319) is dibutyl-methoxy-pentylazanium.
What is the SMILES notation for dibutyl-methoxy-pentylazanium?
The canonical SMILES for dibutyl-methoxy-pentylazanium is CCCCC[N+](CCCC)(CCCC)OC.
What is the InChIKey of dibutyl-methoxy-pentylazanium?
The InChIKey is RTGCLFLTWKYXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO/c1-5-8-11-14-15(16-4,12-9-6-2)13-10-7-3/h5-14H2,1-4H3/q+1.
What are the key properties of dibutyl-methoxy-pentylazanium?
dibutyl-methoxy-pentylazanium has a molecular weight of 230.42 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-methoxy-pentylazanium is sourced from PubChem (CID 174501319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).