(4-methylphenyl)-tripropylazanium hydroxide

C16H29NO — CID 176891464

IUPAC(4-methylphenyl)-tripropylazanium hydroxide
SMILESCCC[N+](CCC)(CCC)c1ccc(C)cc1.[OH-]
InChIInChI=1S/C16H28N.H2O/c1-5-12-17(13-6-2,14-7-3)16-10-8-15(4)9-11-16;/h8-11H,5-7,12-14H2,1-4H3;1H2/q+1;/p-1
InChIKeyUTFJYSVZTYCMJD-UHFFFAOYSA-M
MW251.41 g/mol
LogP4.36
Rot. Bonds7

About (4-methylphenyl)-tripropylazanium hydroxide

(4-methylphenyl)-tripropylazanium hydroxide (PubChem CID 176891464) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (4-methylphenyl)-tripropylazanium hydroxide.

Molecular Properties

Compound Name(4-methylphenyl)-tripropylazanium hydroxide
PubChem CID176891464
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(4-methylphenyl)-tripropylazanium hydroxide
SMILESCCC[N+](CCC)(CCC)c1ccc(C)cc1.[OH-]
InChIInChI=1S/C16H28N.H2O/c1-5-12-17(13-6-2,14-7-3)16-10-8-15(4)9-11-16;/h8-11H,5-7,12-14H2,1-4H3;1H2/q+1;/p-1
InChIKeyUTFJYSVZTYCMJD-UHFFFAOYSA-M
XLogP4.36
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (4-methylphenyl)-tripropylazanium hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethyl-N-propylbenzeneamine oxide
CID 134995998
diethyl-icosyl-(4-methylphenyl)azanium chloride
CID 20509239
(2,4-dimethylphenyl)-tripropylazanium hydroxide
CID 22408866
hexyl-dimethyl-(4-methylphenyl)azanium chloride
CID 20509090
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264
(2,6-dimethylphenyl)-tripropylazanium hydroxide
CID 70124756
azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide
CID 175439237
molecular hydrogen;propane;1,4-xylene
CID 170763925
4-methylbenzenesulfonate;methyl(tripropyl)azanium
CID 71445519
(4-methylphenyl)-propylalumanylium
CID 21465821
ethanol;methanol;1,4-xylene
CID 70196397

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-tripropylazanium hydroxide?
The IUPAC name of (4-methylphenyl)-tripropylazanium hydroxide (CID 176891464) is (4-methylphenyl)-tripropylazanium hydroxide.
What is the SMILES notation for (4-methylphenyl)-tripropylazanium hydroxide?
The canonical SMILES for (4-methylphenyl)-tripropylazanium hydroxide is CCC[N+](CCC)(CCC)c1ccc(C)cc1.[OH-].
What is the InChIKey of (4-methylphenyl)-tripropylazanium hydroxide?
The InChIKey is UTFJYSVZTYCMJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H28N.H2O/c1-5-12-17(13-6-2,14-7-3)16-10-8-15(4)9-11-16;/h8-11H,5-7,12-14H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of (4-methylphenyl)-tripropylazanium hydroxide?
(4-methylphenyl)-tripropylazanium hydroxide has a molecular weight of 251.41 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-tripropylazanium hydroxide is sourced from PubChem (CID 176891464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).