(2,4-dimethylphenyl)-tripropylazanium hydroxide

C17H31NO — CID 22408866

IUPAC(2,4-dimethylphenyl)-tripropylazanium hydroxide
SMILESCCC[N+](CCC)(CCC)c1ccc(C)cc1C.[OH-]
InChIInChI=1S/C17H30N.H2O/c1-6-11-18(12-7-2,13-8-3)17-10-9-15(4)14-16(17)5;/h9-10,14H,6-8,11-13H2,1-5H3;1H2/q+1;/p-1
InChIKeyRNWVQOPEUNRAQV-UHFFFAOYSA-M
MW265.44 g/mol
LogP4.66
Rot. Bonds7

About (2,4-dimethylphenyl)-tripropylazanium hydroxide

(2,4-dimethylphenyl)-tripropylazanium hydroxide (PubChem CID 22408866) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-tripropylazanium hydroxide.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-tripropylazanium hydroxide
PubChem CID22408866
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(2,4-dimethylphenyl)-tripropylazanium hydroxide
SMILESCCC[N+](CCC)(CCC)c1ccc(C)cc1C.[OH-]
InChIInChI=1S/C17H30N.H2O/c1-6-11-18(12-7-2,13-8-3)17-10-9-15(4)14-16(17)5;/h9-10,14H,6-8,11-13H2,1-5H3;1H2/q+1;/p-1
InChIKeyRNWVQOPEUNRAQV-UHFFFAOYSA-M
XLogP4.66
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.66
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

(4-methylphenyl)-tripropylazanium hydroxide
CID 176891464
(2-methylphenyl)-octadecyl-dipropylazanium hydroxide
CID 70584646
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
tris(tetrakis(2,4-dimethylphenyl)azanium);borate
CID 175371398
(2,6-dimethylphenyl)-tripropylazanium hydroxide
CID 70124756
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
1,2,4-trimethylbenzene
CID 7247
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2,5-dimethyl-N,N-dipropylaniline
CID 13113808
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
bis(4-methylbenzene-1,2-dithiolate);nickel(3+);tetrabutylazanium
CID 86280311
propylazanium;tetrakis(2,4-dimethylphenyl)boranuide
CID 23187166

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-tripropylazanium hydroxide?
The IUPAC name of (2,4-dimethylphenyl)-tripropylazanium hydroxide (CID 22408866) is (2,4-dimethylphenyl)-tripropylazanium hydroxide.
What is the SMILES notation for (2,4-dimethylphenyl)-tripropylazanium hydroxide?
The canonical SMILES for (2,4-dimethylphenyl)-tripropylazanium hydroxide is CCC[N+](CCC)(CCC)c1ccc(C)cc1C.[OH-].
What is the InChIKey of (2,4-dimethylphenyl)-tripropylazanium hydroxide?
The InChIKey is RNWVQOPEUNRAQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H30N.H2O/c1-6-11-18(12-7-2,13-8-3)17-10-9-15(4)14-16(17)5;/h9-10,14H,6-8,11-13H2,1-5H3;1H2/q+1;/p-1.
What are the key properties of (2,4-dimethylphenyl)-tripropylazanium hydroxide?
(2,4-dimethylphenyl)-tripropylazanium hydroxide has a molecular weight of 265.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-tripropylazanium hydroxide is sourced from PubChem (CID 22408866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).