10-morpholin-4-ium-4-yldecan-1-ol iodide

C14H30INO2 — CID 89438909

IUPAC10-morpholin-4-ium-4-yldecan-1-ol iodide
SMILESOCCCCCCCCCC[NH+]1CCOCC1.[I-]
InChIInChI=1S/C14H29NO2.HI/c16-12-8-6-4-2-1-3-5-7-9-15-10-13-17-14-11-15;/h16H,1-14H2;1H
InChIKeyKJNBLPBXJHYMLF-UHFFFAOYSA-N
MW371.30 g/mol
LogP-1.98
Rot. Bonds10

About 10-morpholin-4-ium-4-yldecan-1-ol iodide

10-morpholin-4-ium-4-yldecan-1-ol iodide (PubChem CID 89438909) has the molecular formula C14H30INO2 and a molecular weight of 371.30 g/mol. Its IUPAC name is 10-morpholin-4-ium-4-yldecan-1-ol iodide.

Molecular Properties

Compound Name10-morpholin-4-ium-4-yldecan-1-ol iodide
PubChem CID89438909
Molecular FormulaC14H30INO2
Molecular Weight371.30 g/mol
Exact Mass371.13
IUPAC Name10-morpholin-4-ium-4-yldecan-1-ol iodide
SMILESOCCCCCCCCCC[NH+]1CCOCC1.[I-]
InChIInChI=1S/C14H29NO2.HI/c16-12-8-6-4-2-1-3-5-7-9-15-10-13-17-14-11-15;/h16H,1-14H2;1H
InChIKeyKJNBLPBXJHYMLF-UHFFFAOYSA-N
XLogP-1.98
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ium-4-ylethanol iodide
CID 89439326
4-butylmorpholin-4-ium
CID 18931037
4-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)ethyl]morpholin-4-ium dichloride
CID 110175239
2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7015303
2-(4-morpholin-4-ium-4-ylbutylsulfanyl)benzene-1,4-diol
CID 2297714
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
tricosane-1,23-diol
CID 25144332
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508

Frequently Asked Questions

What is the IUPAC name of 10-morpholin-4-ium-4-yldecan-1-ol iodide?
The IUPAC name of 10-morpholin-4-ium-4-yldecan-1-ol iodide (CID 89438909) is 10-morpholin-4-ium-4-yldecan-1-ol iodide.
What is the SMILES notation for 10-morpholin-4-ium-4-yldecan-1-ol iodide?
The canonical SMILES for 10-morpholin-4-ium-4-yldecan-1-ol iodide is OCCCCCCCCCC[NH+]1CCOCC1.[I-].
What is the InChIKey of 10-morpholin-4-ium-4-yldecan-1-ol iodide?
The InChIKey is KJNBLPBXJHYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.HI/c16-12-8-6-4-2-1-3-5-7-9-15-10-13-17-14-11-15;/h16H,1-14H2;1H.
What are the key properties of 10-morpholin-4-ium-4-yldecan-1-ol iodide?
10-morpholin-4-ium-4-yldecan-1-ol iodide has a molecular weight of 371.30 g/mol, XLogP of -1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-morpholin-4-ium-4-yldecan-1-ol iodide is sourced from PubChem (CID 89438909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).