butyl-[5-(4-tert-butylphenoxy)pentyl]azanium

C19H34NO+ — CID 2248472

IUPACbutyl-[5-(4-tert-butylphenoxy)pentyl]azanium
SMILESCCCC[NH2+]CCCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-14-20-15-8-7-9-16-21-18-12-10-17(11-13-18)19(2,3)4/h10-13,20H,5-9,14-16H2,1-4H3/p+1
InChIKeyZIYHQDFZFILDMV-UHFFFAOYSA-O
MW292.49 g/mol
LogP3.90
Rot. Bonds10

About butyl-[5-(4-tert-butylphenoxy)pentyl]azanium

butyl-[5-(4-tert-butylphenoxy)pentyl]azanium (PubChem CID 2248472) has the molecular formula C19H34NO+ and a molecular weight of 292.49 g/mol. Its IUPAC name is butyl-[5-(4-tert-butylphenoxy)pentyl]azanium.

Molecular Properties

Compound Namebutyl-[5-(4-tert-butylphenoxy)pentyl]azanium
PubChem CID2248472
Molecular FormulaC19H34NO+
Molecular Weight292.49 g/mol
Exact Mass292.26
IUPAC Namebutyl-[5-(4-tert-butylphenoxy)pentyl]azanium
SMILESCCCC[NH2+]CCCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-14-20-15-8-7-9-16-21-18-12-10-17(11-13-18)19(2,3)4/h10-13,20H,5-9,14-16H2,1-4H3/p+1
InChIKeyZIYHQDFZFILDMV-UHFFFAOYSA-O
XLogP3.90
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butyl-[6-(4-methylphenoxy)hexyl]azanium
CID 2248796
6-(4-bromophenoxy)hexyl-butylazanium
CID 2249695
butyl-[4-(4-fluorophenoxy)butyl]azanium
CID 2249066
butyl-[[4-[10-[4-[(butylazaniumyl)methyl]phenoxy]decoxy]phenyl]methyl]azanium
CID 102584674
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238
1,4-dipentoxybenzene
CID 18314717
1-[bis(4-tert-butylphenyl)-[4-(6-iodohexoxy)phenyl]methyl]-4-tert-butylbenzene
CID 132534710
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
CID 15189872

Frequently Asked Questions

What is the IUPAC name of butyl-[5-(4-tert-butylphenoxy)pentyl]azanium?
The IUPAC name of butyl-[5-(4-tert-butylphenoxy)pentyl]azanium (CID 2248472) is butyl-[5-(4-tert-butylphenoxy)pentyl]azanium.
What is the SMILES notation for butyl-[5-(4-tert-butylphenoxy)pentyl]azanium?
The canonical SMILES for butyl-[5-(4-tert-butylphenoxy)pentyl]azanium is CCCC[NH2+]CCCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of butyl-[5-(4-tert-butylphenoxy)pentyl]azanium?
The InChIKey is ZIYHQDFZFILDMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H33NO/c1-5-6-14-20-15-8-7-9-16-21-18-12-10-17(11-13-18)19(2,3)4/h10-13,20H,5-9,14-16H2,1-4H3/p+1.
What are the key properties of butyl-[5-(4-tert-butylphenoxy)pentyl]azanium?
butyl-[5-(4-tert-butylphenoxy)pentyl]azanium has a molecular weight of 292.49 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[5-(4-tert-butylphenoxy)pentyl]azanium is sourced from PubChem (CID 2248472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).