(2,6-dimethylphenyl)-tripropylazanium hydroxide

C17H31NO — CID 70124756

IUPAC(2,6-dimethylphenyl)-tripropylazanium hydroxide
SMILESCCC[N+](CCC)(CCC)c1c(C)cccc1C.[OH-]
InChIInChI=1S/C17H30N.H2O/c1-6-12-18(13-7-2,14-8-3)17-15(4)10-9-11-16(17)5;/h9-11H,6-8,12-14H2,1-5H3;1H2/q+1;/p-1
InChIKeyMKHNZFWBTFOSMY-UHFFFAOYSA-M
MW265.44 g/mol
LogP4.66
Rot. Bonds7

About (2,6-dimethylphenyl)-tripropylazanium hydroxide

(2,6-dimethylphenyl)-tripropylazanium hydroxide (PubChem CID 70124756) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-tripropylazanium hydroxide.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-tripropylazanium hydroxide
PubChem CID70124756
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(2,6-dimethylphenyl)-tripropylazanium hydroxide
SMILESCCC[N+](CCC)(CCC)c1c(C)cccc1C.[OH-]
InChIInChI=1S/C17H30N.H2O/c1-6-12-18(13-7-2,14-8-3)17-15(4)10-9-11-16(17)5;/h9-11H,6-8,12-14H2,1-5H3;1H2/q+1;/p-1
InChIKeyMKHNZFWBTFOSMY-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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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-tripropylazanium hydroxide?
The IUPAC name of (2,6-dimethylphenyl)-tripropylazanium hydroxide (CID 70124756) is (2,6-dimethylphenyl)-tripropylazanium hydroxide.
What is the SMILES notation for (2,6-dimethylphenyl)-tripropylazanium hydroxide?
The canonical SMILES for (2,6-dimethylphenyl)-tripropylazanium hydroxide is CCC[N+](CCC)(CCC)c1c(C)cccc1C.[OH-].
What is the InChIKey of (2,6-dimethylphenyl)-tripropylazanium hydroxide?
The InChIKey is MKHNZFWBTFOSMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H30N.H2O/c1-6-12-18(13-7-2,14-8-3)17-15(4)10-9-11-16(17)5;/h9-11H,6-8,12-14H2,1-5H3;1H2/q+1;/p-1.
What are the key properties of (2,6-dimethylphenyl)-tripropylazanium hydroxide?
(2,6-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 (2,6-dimethylphenyl)-tripropylazanium hydroxide is sourced from PubChem (CID 70124756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).