triheptyl(methyl)azanium hydroxide

C22H49NO — CID 87534234

IUPACtriheptyl(methyl)azanium hydroxide
SMILESCCCCCCC[N+](C)(CCCCCCC)CCCCCCC.[OH-]
InChIInChI=1S/C22H48N.H2O/c1-5-8-11-14-17-20-23(4,21-18-15-12-9-6-2)22-19-16-13-10-7-3;/h5-22H2,1-4H3;1H2/q+1;/p-1
InChIKeySBMUUHKCUUPLIB-UHFFFAOYSA-M
MW343.64 g/mol
LogP7.17
Rot. Bonds18

About triheptyl(methyl)azanium hydroxide

triheptyl(methyl)azanium hydroxide (PubChem CID 87534234) has the molecular formula C22H49NO and a molecular weight of 343.64 g/mol. Its IUPAC name is triheptyl(methyl)azanium hydroxide.

Molecular Properties

Compound Nametriheptyl(methyl)azanium hydroxide
PubChem CID87534234
Molecular FormulaC22H49NO
Molecular Weight343.64 g/mol
Exact Mass343.38
IUPAC Nametriheptyl(methyl)azanium hydroxide
SMILESCCCCCCC[N+](C)(CCCCCCC)CCCCCCC.[OH-]
InChIInChI=1S/C22H48N.H2O/c1-5-8-11-14-17-20-23(4,21-18-15-12-9-6-2)22-19-16-13-10-7-3;/h5-22H2,1-4H3;1H2/q+1;/p-1
InChIKeySBMUUHKCUUPLIB-UHFFFAOYSA-M
XLogP7.17
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.64
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
butyl-dodecyl-methyl-octylazanium
CID 71382086
methyl-tri(nonyl)azanium iodide
CID 88652767
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
trihexyl(methyl)azanium iodide
CID 87252050
methyl(trioctyl)azanium;hydrochloride
CID 174428259
azane;methyl-tri(tetradecyl)azanium
CID 172739350
methyl-tri(undecyl)azanium bromide
CID 15066122
azane;tridodecyl(methyl)azanium;hydrobromide
CID 175325392
methyl(trioctyl)azanium;chloride;hydrochloride
CID 172818491

Frequently Asked Questions

What is the IUPAC name of triheptyl(methyl)azanium hydroxide?
The IUPAC name of triheptyl(methyl)azanium hydroxide (CID 87534234) is triheptyl(methyl)azanium hydroxide.
What is the SMILES notation for triheptyl(methyl)azanium hydroxide?
The canonical SMILES for triheptyl(methyl)azanium hydroxide is CCCCCCC[N+](C)(CCCCCCC)CCCCCCC.[OH-].
What is the InChIKey of triheptyl(methyl)azanium hydroxide?
The InChIKey is SBMUUHKCUUPLIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H48N.H2O/c1-5-8-11-14-17-20-23(4,21-18-15-12-9-6-2)22-19-16-13-10-7-3;/h5-22H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of triheptyl(methyl)azanium hydroxide?
triheptyl(methyl)azanium hydroxide has a molecular weight of 343.64 g/mol, XLogP of 7.17, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triheptyl(methyl)azanium hydroxide is sourced from PubChem (CID 87534234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).