benzyl-tri(propan-2-yl)azanium hydroxide

C16H29NO — CID 88796159

IUPACbenzyl-tri(propan-2-yl)azanium hydroxide
SMILESCC(C)[N+](Cc1ccccc1)(C(C)C)C(C)C.[OH-]
InChIInChI=1S/C16H28N.H2O/c1-13(2)17(14(3)4,15(5)6)12-16-10-8-7-9-11-16;/h7-11,13-15H,12H2,1-6H3;1H2/q+1;/p-1
InChIKeyOTAQHDGSIKAAQN-UHFFFAOYSA-M
MW251.41 g/mol
LogP4.05
Rot. Bonds5

About benzyl-tri(propan-2-yl)azanium hydroxide

benzyl-tri(propan-2-yl)azanium hydroxide (PubChem CID 88796159) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is benzyl-tri(propan-2-yl)azanium hydroxide.

Molecular Properties

Compound Namebenzyl-tri(propan-2-yl)azanium hydroxide
PubChem CID88796159
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Namebenzyl-tri(propan-2-yl)azanium hydroxide
SMILESCC(C)[N+](Cc1ccccc1)(C(C)C)C(C)C.[OH-]
InChIInChI=1S/C16H28N.H2O/c1-13(2)17(14(3)4,15(5)6)12-16-10-8-7-9-11-16;/h7-11,13-15H,12H2,1-6H3;1H2/q+1;/p-1
InChIKeyOTAQHDGSIKAAQN-UHFFFAOYSA-M
XLogP4.05
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl-dimethyl-propan-2-ylazanium hydroxide
CID 155661128
benzyl-methyl-di(propan-2-yl)azanium hydroxide
CID 87910500
(R)-benzyl-methyl-phenyl-propan-2-ylazanium bromide
CID 163299651
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
benzyl-dimethyl-propan-2-ylazanium isocyanate
CID 23311583
CID 87882196
CID 87882196
benzyl-[1-[4-[1-[benzyl(dimethyl)azaniumyl]ethyl]phenyl]ethyl]-dimethylazanium
CID 89119591
tribenzyl(2-hydroxypropyl)azanium
CID 58570197
dibenzyl(dimethyl)azanium;hydrate;hydrochloride
CID 126959891
(2-benzyl-3-methylbutyl)benzene
CID 22277918
benzyl-tert-butyl-dimethylazanium;propan-2-ol
CID 174436471
(1-iodo-2-phenylethyl)-di(propan-2-yl)-prop-2-ynylazanium
CID 154502644

Frequently Asked Questions

What is the IUPAC name of benzyl-tri(propan-2-yl)azanium hydroxide?
The IUPAC name of benzyl-tri(propan-2-yl)azanium hydroxide (CID 88796159) is benzyl-tri(propan-2-yl)azanium hydroxide.
What is the SMILES notation for benzyl-tri(propan-2-yl)azanium hydroxide?
The canonical SMILES for benzyl-tri(propan-2-yl)azanium hydroxide is CC(C)[N+](Cc1ccccc1)(C(C)C)C(C)C.[OH-].
What is the InChIKey of benzyl-tri(propan-2-yl)azanium hydroxide?
The InChIKey is OTAQHDGSIKAAQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H28N.H2O/c1-13(2)17(14(3)4,15(5)6)12-16-10-8-7-9-11-16;/h7-11,13-15H,12H2,1-6H3;1H2/q+1;/p-1.
What are the key properties of benzyl-tri(propan-2-yl)azanium hydroxide?
benzyl-tri(propan-2-yl)azanium hydroxide has a molecular weight of 251.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-tri(propan-2-yl)azanium hydroxide is sourced from PubChem (CID 88796159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).