benzyl-dimethyl-propan-2-ylazanium hydroxide

C12H21NO — CID 155661128

IUPACbenzyl-dimethyl-propan-2-ylazanium hydroxide
SMILESCC(C)[N+](C)(C)Cc1ccccc1.[OH-]
InChIInChI=1S/C12H20N.H2O/c1-11(2)13(3,4)10-12-8-6-5-7-9-12;/h5-9,11H,10H2,1-4H3;1H2/q+1;/p-1
InChIKeyNUVKYDHBOWFVDI-UHFFFAOYSA-M
MW195.31 g/mol
LogP2.49
Rot. Bonds3

About benzyl-dimethyl-propan-2-ylazanium hydroxide

benzyl-dimethyl-propan-2-ylazanium hydroxide (PubChem CID 155661128) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is benzyl-dimethyl-propan-2-ylazanium hydroxide.

Molecular Properties

Compound Namebenzyl-dimethyl-propan-2-ylazanium hydroxide
PubChem CID155661128
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namebenzyl-dimethyl-propan-2-ylazanium hydroxide
SMILESCC(C)[N+](C)(C)Cc1ccccc1.[OH-]
InChIInChI=1S/C12H20N.H2O/c1-11(2)13(3,4)10-12-8-6-5-7-9-12;/h5-9,11H,10H2,1-4H3;1H2/q+1;/p-1
InChIKeyNUVKYDHBOWFVDI-UHFFFAOYSA-M
XLogP2.49
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.49
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 isocyanate
CID 23311583
benzyl-methyl-di(propan-2-yl)azanium hydroxide
CID 87910500
benzyl-tri(propan-2-yl)azanium hydroxide
CID 88796159
benzyl-[1-[4-[1-[benzyl(dimethyl)azaniumyl]ethyl]phenyl]ethyl]-dimethylazanium
CID 89119591
[4-(chloromethyl)phenyl]methyl-dimethyl-propan-2-ylazanium chloride
CID 18413287
benzyl-[1-(4-chlorophenyl)ethyl]-dimethylazanium
CID 174544121
benzyl-(1-chloro-2-hydroxypropyl)-dimethylazanium chloride
CID 174737498
benzyl-(1-hydroxy-2-phenylpropyl)-dimethylazanium
CID 58225776
(R)-benzyl-methyl-phenyl-propan-2-ylazanium bromide
CID 163299651
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
benzyl-(1-hydroxypropyl)-dimethylazanium chloride
CID 139855182
CID 87882196
CID 87882196

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-propan-2-ylazanium hydroxide?
The IUPAC name of benzyl-dimethyl-propan-2-ylazanium hydroxide (CID 155661128) is benzyl-dimethyl-propan-2-ylazanium hydroxide.
What is the SMILES notation for benzyl-dimethyl-propan-2-ylazanium hydroxide?
The canonical SMILES for benzyl-dimethyl-propan-2-ylazanium hydroxide is CC(C)[N+](C)(C)Cc1ccccc1.[OH-].
What is the InChIKey of benzyl-dimethyl-propan-2-ylazanium hydroxide?
The InChIKey is NUVKYDHBOWFVDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N.H2O/c1-11(2)13(3,4)10-12-8-6-5-7-9-12;/h5-9,11H,10H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of benzyl-dimethyl-propan-2-ylazanium hydroxide?
benzyl-dimethyl-propan-2-ylazanium hydroxide has a molecular weight of 195.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-propan-2-ylazanium hydroxide is sourced from PubChem (CID 155661128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).