butyl-dipentyl-propylazanium chloride

C17H38ClN — CID 88839521

IUPACbutyl-dipentyl-propylazanium chloride
SMILESCCCCC[N+](CCC)(CCCC)CCCCC.[Cl-]
InChIInChI=1S/C17H38N.ClH/c1-5-9-12-16-18(14-8-4,15-11-7-3)17-13-10-6-2;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyFRSKRWWRSWLKLT-UHFFFAOYSA-M
MW291.95 g/mol
LogP2.40
Rot. Bonds13

About butyl-dipentyl-propylazanium chloride

butyl-dipentyl-propylazanium chloride (PubChem CID 88839521) has the molecular formula C17H38ClN and a molecular weight of 291.95 g/mol. Its IUPAC name is butyl-dipentyl-propylazanium chloride.

Molecular Properties

Compound Namebutyl-dipentyl-propylazanium chloride
PubChem CID88839521
Molecular FormulaC17H38ClN
Molecular Weight291.95 g/mol
Exact Mass291.27
IUPAC Namebutyl-dipentyl-propylazanium chloride
SMILESCCCCC[N+](CCC)(CCCC)CCCCC.[Cl-]
InChIInChI=1S/C17H38N.ClH/c1-5-9-12-16-18(14-8-4,15-11-7-3)17-13-10-6-2;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKeyFRSKRWWRSWLKLT-UHFFFAOYSA-M
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.95
LogP ≤ 52.40
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

didecyl(dipropyl)azanium chloride
CID 16747386
dibutyl-hexadecyl-propylazanium
CID 87194483
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
propyl-tri(tetradecyl)azanium
CID 22408967
dibutyl(dihexadecyl)azanium chloride
CID 87778770
dihexyl(dipropyl)azanium
CID 23088856
propyl-tri(undecyl)azanium
CID 54352857
tripropyl-[4-(tripropylazaniumyl)butyl]azanium
CID 86186380
butyl(tripentyl)azanium
CID 14022644
tripropyl(tetracosyl)azanium bromide
CID 153322910
dodecyl(tripropyl)azanium hydroxide
CID 19814016
dibutyl(diheptyl)azanium
CID 87534229

Frequently Asked Questions

What is the IUPAC name of butyl-dipentyl-propylazanium chloride?
The IUPAC name of butyl-dipentyl-propylazanium chloride (CID 88839521) is butyl-dipentyl-propylazanium chloride.
What is the SMILES notation for butyl-dipentyl-propylazanium chloride?
The canonical SMILES for butyl-dipentyl-propylazanium chloride is CCCCC[N+](CCC)(CCCC)CCCCC.[Cl-].
What is the InChIKey of butyl-dipentyl-propylazanium chloride?
The InChIKey is FRSKRWWRSWLKLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38N.ClH/c1-5-9-12-16-18(14-8-4,15-11-7-3)17-13-10-6-2;/h5-17H2,1-4H3;1H/q+1;/p-1.
What are the key properties of butyl-dipentyl-propylazanium chloride?
butyl-dipentyl-propylazanium chloride has a molecular weight of 291.95 g/mol, XLogP of 2.40, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dipentyl-propylazanium chloride is sourced from PubChem (CID 88839521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).