4-butylmorpholin-4-ium

C8H18NO+ — CID 18931037

IUPAC4-butylmorpholin-4-ium
SMILESCCCC[NH+]1CCOCC1
InChIInChI=1S/C8H17NO/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3/p+1
InChIKeyLMRKVKPRHROQRR-UHFFFAOYSA-O
MW144.24 g/mol
LogP-0.30
Rot. Bonds3

About 4-butylmorpholin-4-ium

4-butylmorpholin-4-ium (PubChem CID 18931037) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 4-butylmorpholin-4-ium.

Molecular Properties

Compound Name4-butylmorpholin-4-ium
PubChem CID18931037
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name4-butylmorpholin-4-ium
SMILESCCCC[NH+]1CCOCC1
InChIInChI=1S/C8H17NO/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3/p+1
InChIKeyLMRKVKPRHROQRR-UHFFFAOYSA-O
XLogP-0.30
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-butylmorpholin-4-ium 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

acetonitrile;4-butylmorpholin-4-ium
CID 86752402
10-morpholin-4-ium-4-yldecan-1-ol iodide
CID 89438909
2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7015303
2-morpholin-4-ium-4-ylethanol iodide
CID 89439326
1,4-dioxane;tetradecane
CID 159034856
4-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)ethyl]morpholin-4-ium dichloride
CID 110175239
2-(4-butoxyphenyl)-4-morpholin-4-ium-4-ylbutan-2-ol
CID 5179668
1-butylpyrrolidin-1-ium acetate
CID 118062280
1-heptyl-4-methylpiperazine-1,4-diium
CID 101132983
butane;bis(4-methylmorpholin-4-ium);dibromide
CID 159010393
4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium
CID 19792725
1-butylpyrrolidin-1-ium;dihydrogen phosphate
CID 163359822

Frequently Asked Questions

What is the IUPAC name of 4-butylmorpholin-4-ium?
The IUPAC name of 4-butylmorpholin-4-ium (CID 18931037) is 4-butylmorpholin-4-ium.
What is the SMILES notation for 4-butylmorpholin-4-ium?
The canonical SMILES for 4-butylmorpholin-4-ium is CCCC[NH+]1CCOCC1.
What is the InChIKey of 4-butylmorpholin-4-ium?
The InChIKey is LMRKVKPRHROQRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3/p+1.
What are the key properties of 4-butylmorpholin-4-ium?
4-butylmorpholin-4-ium has a molecular weight of 144.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylmorpholin-4-ium is sourced from PubChem (CID 18931037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).