benzyl-methyl-di(propan-2-yl)azanium hydroxide

C14H25NO — CID 87910500

IUPACbenzyl-methyl-di(propan-2-yl)azanium hydroxide
SMILESCC(C)[N+](C)(Cc1ccccc1)C(C)C.[OH-]
InChIInChI=1S/C14H24N.H2O/c1-12(2)15(5,13(3)4)11-14-9-7-6-8-10-14;/h6-10,12-13H,11H2,1-5H3;1H2/q+1;/p-1
InChIKeyKOIXKMZXKQHOIN-UHFFFAOYSA-M
MW223.36 g/mol
LogP3.27
Rot. Bonds4

About benzyl-methyl-di(propan-2-yl)azanium hydroxide

benzyl-methyl-di(propan-2-yl)azanium hydroxide (PubChem CID 87910500) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is benzyl-methyl-di(propan-2-yl)azanium hydroxide.

Molecular Properties

Compound Namebenzyl-methyl-di(propan-2-yl)azanium hydroxide
PubChem CID87910500
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Namebenzyl-methyl-di(propan-2-yl)azanium hydroxide
SMILESCC(C)[N+](C)(Cc1ccccc1)C(C)C.[OH-]
InChIInChI=1S/C14H24N.H2O/c1-12(2)15(5,13(3)4)11-14-9-7-6-8-10-14;/h6-10,12-13H,11H2,1-5H3;1H2/q+1;/p-1
InChIKeyKOIXKMZXKQHOIN-UHFFFAOYSA-M
XLogP3.27
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.27
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-tri(propan-2-yl)azanium hydroxide
CID 88796159
(4-ethylphenyl)methyl-methyl-di(propan-2-yl)azanium
CID 87935383
(R)-benzyl-methyl-phenyl-propan-2-ylazanium bromide
CID 163299651
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
CID 87882196
CID 87882196
benzyl-dimethyl-propan-2-ylazanium isocyanate
CID 23311583
benzyl-[1-[4-[1-[benzyl(dimethyl)azaniumyl]ethyl]phenyl]ethyl]-dimethylazanium
CID 89119591
dibenzyl(dimethyl)azanium;hydrate;hydrochloride
CID 126959891
benzyl-tert-butyl-dimethylazanium;propan-2-ol
CID 174436471
dibenzyl-ethyl-methylazanium
CID 87490135
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
CID 172808382

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-di(propan-2-yl)azanium hydroxide?
The IUPAC name of benzyl-methyl-di(propan-2-yl)azanium hydroxide (CID 87910500) is benzyl-methyl-di(propan-2-yl)azanium hydroxide.
What is the SMILES notation for benzyl-methyl-di(propan-2-yl)azanium hydroxide?
The canonical SMILES for benzyl-methyl-di(propan-2-yl)azanium hydroxide is CC(C)[N+](C)(Cc1ccccc1)C(C)C.[OH-].
What is the InChIKey of benzyl-methyl-di(propan-2-yl)azanium hydroxide?
The InChIKey is KOIXKMZXKQHOIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H24N.H2O/c1-12(2)15(5,13(3)4)11-14-9-7-6-8-10-14;/h6-10,12-13H,11H2,1-5H3;1H2/q+1;/p-1.
What are the key properties of benzyl-methyl-di(propan-2-yl)azanium hydroxide?
benzyl-methyl-di(propan-2-yl)azanium hydroxide has a molecular weight of 223.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-di(propan-2-yl)azanium hydroxide is sourced from PubChem (CID 87910500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).