benzyl-ditert-butyl-hydroxyazanium

C15H26NO+ — CID 126706338

IUPACbenzyl-ditert-butyl-hydroxyazanium
SMILESCC(C)(C)[N+](O)(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H26NO/c1-14(2,3)16(17,15(4,5)6)12-13-10-8-7-9-11-13/h7-11,17H,12H2,1-6H3/q+1
InChIKeyAZHGGCQNQSGDAO-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.99
Rot. Bonds2

About benzyl-ditert-butyl-hydroxyazanium

benzyl-ditert-butyl-hydroxyazanium (PubChem CID 126706338) has the molecular formula C15H26NO+ and a molecular weight of 236.38 g/mol. Its IUPAC name is benzyl-ditert-butyl-hydroxyazanium.

Molecular Properties

Compound Namebenzyl-ditert-butyl-hydroxyazanium
PubChem CID126706338
Molecular FormulaC15H26NO+
Molecular Weight236.38 g/mol
Exact Mass236.20
IUPAC Namebenzyl-ditert-butyl-hydroxyazanium
SMILESCC(C)(C)[N+](O)(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H26NO/c1-14(2,3)16(17,15(4,5)6)12-13-10-8-7-9-11-13/h7-11,17H,12H2,1-6H3/q+1
InChIKeyAZHGGCQNQSGDAO-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl(dihydroxy)azanium
CID 87501623
benzyl-tert-butyl-dimethylazanium;propan-2-ol
CID 174436471
CID 87882196
CID 87882196
benzyl-dimethyl-(tribromomethyl)azanium
CID 87837906
benzyl(trimethyl)azanium;hydroxymethanolate
CID 87247218
2,2-dimethylpropylbenzene;methanol
CID 157125736
dibenzyl(dimethyl)azanium;hydrate;hydrochloride
CID 126959891
bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
CID 142675519
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
dibenzyl-ethyl-methylazanium
CID 87490135
dibenzyl-[[(4S,5S)-2-tert-butyl-5-[[dibenzyl(methyl)azaniumyl]methyl]-1,3-dioxolan-4-yl]methyl]-methylazanium
CID 101215737

Frequently Asked Questions

What is the IUPAC name of benzyl-ditert-butyl-hydroxyazanium?
The IUPAC name of benzyl-ditert-butyl-hydroxyazanium (CID 126706338) is benzyl-ditert-butyl-hydroxyazanium.
What is the SMILES notation for benzyl-ditert-butyl-hydroxyazanium?
The canonical SMILES for benzyl-ditert-butyl-hydroxyazanium is CC(C)(C)[N+](O)(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl-ditert-butyl-hydroxyazanium?
The InChIKey is AZHGGCQNQSGDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO/c1-14(2,3)16(17,15(4,5)6)12-13-10-8-7-9-11-13/h7-11,17H,12H2,1-6H3/q+1.
What are the key properties of benzyl-ditert-butyl-hydroxyazanium?
benzyl-ditert-butyl-hydroxyazanium has a molecular weight of 236.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ditert-butyl-hydroxyazanium is sourced from PubChem (CID 126706338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).