6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium

C23H34NO+ — CID 145375829

IUPAC6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium
SMILESc1ccc(CCCC[OH+]CCCCCCNCc2ccccc2)cc1
InChIInChI=1S/C23H33NO/c1(10-18-24-21-23-16-7-4-8-17-23)2-11-19-25-20-12-9-15-22-13-5-3-6-14-22/h3-8,13-14,16-17,24H,1-2,9-12,15,18-21H2/p+1
InChIKeyJWLIKZBRVQRFNF-UHFFFAOYSA-O
MW340.53 g/mol
LogP4.89
Rot. Bonds14

About 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium

6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium (PubChem CID 145375829) has the molecular formula C23H34NO+ and a molecular weight of 340.53 g/mol. Its IUPAC name is 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium.

Molecular Properties

Compound Name6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium
PubChem CID145375829
Molecular FormulaC23H34NO+
Molecular Weight340.53 g/mol
Exact Mass340.26
IUPAC Name6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium
SMILESc1ccc(CCCC[OH+]CCCCCCNCc2ccccc2)cc1
InChIInChI=1S/C23H33NO/c1(10-18-24-21-23-16-7-4-8-17-23)2-11-19-25-20-12-9-15-22-13-5-3-6-14-22/h3-8,13-14,16-17,24H,1-2,9-12,15,18-21H2/p+1
InChIKeyJWLIKZBRVQRFNF-UHFFFAOYSA-O
XLogP4.89
TPSA24.83 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
4-[(4-phenylbutylamino)methyl]benzoic acid
CID 90095310
N'-benzylheptane-1,7-diamine
CID 61150072
N-benzyl-12-chlorododecan-1-amine
CID 175007443
N'-benzyldodecane-1,12-diamine
CID 10589617
N-benzyl-5-silylpentan-1-amine
CID 123625500
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
[3-[(4-phenylbutylamino)methyl]phenyl]methanol
CID 107230381
N'-benzyl-N-(3-silylpropyl)tridecane-1,13-diamine
CID 164972132
N-benzyltridecan-1-amine;hydrochloride
CID 173249552

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium?
The IUPAC name of 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium (CID 145375829) is 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium.
What is the SMILES notation for 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium?
The canonical SMILES for 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium is c1ccc(CCCC[OH+]CCCCCCNCc2ccccc2)cc1.
What is the InChIKey of 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium?
The InChIKey is JWLIKZBRVQRFNF-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H33NO/c1(10-18-24-21-23-16-7-4-8-17-23)2-11-19-25-20-12-9-15-22-13-5-3-6-14-22/h3-8,13-14,16-17,24H,1-2,9-12,15,18-21H2/p+1.
What are the key properties of 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium?
6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium has a molecular weight of 340.53 g/mol, XLogP of 4.89, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)hexyl-(4-phenylbutyl)oxidanium is sourced from PubChem (CID 145375829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).