2-ethyl-2-octylmorpholine;hydrate;hydrochloride

C14H32ClNO2 — CID 67566490

IUPAC2-ethyl-2-octylmorpholine;hydrate;hydrochloride
SMILESCCCCCCCCC1(CC)CNCCO1.Cl.O
InChIInChI=1S/C14H29NO.ClH.H2O/c1-3-5-6-7-8-9-10-14(4-2)13-15-11-12-16-14;;/h15H,3-13H2,1-2H3;1H;1H2
InChIKeyFFKJQFHVGZUHTM-UHFFFAOYSA-N
MW281.87 g/mol
LogP3.10
Rot. Bonds8

About 2-ethyl-2-octylmorpholine;hydrate;hydrochloride

2-ethyl-2-octylmorpholine;hydrate;hydrochloride (PubChem CID 67566490) has the molecular formula C14H32ClNO2 and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-ethyl-2-octylmorpholine;hydrate;hydrochloride.

Molecular Properties

Compound Name2-ethyl-2-octylmorpholine;hydrate;hydrochloride
PubChem CID67566490
Molecular FormulaC14H32ClNO2
Molecular Weight281.87 g/mol
Exact Mass281.21
IUPAC Name2-ethyl-2-octylmorpholine;hydrate;hydrochloride
SMILESCCCCCCCCC1(CC)CNCCO1.Cl.O
InChIInChI=1S/C14H29NO.ClH.H2O/c1-3-5-6-7-8-9-10-14(4-2)13-15-11-12-16-14;;/h15H,3-13H2,1-2H3;1H;1H2
InChIKeyFFKJQFHVGZUHTM-UHFFFAOYSA-N
XLogP3.10
TPSA52.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.87
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-didodecylmorpholine;hydrofluoride
CID 173000581
2-dodecyl-2-methylmorpholine;hydrobromide
CID 173402578
azane;2-bromo-2-octylmorpholine
CID 174988461
1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide
CID 173370382
acetic acid;2,2-diethylmorpholine
CID 70348686
1-(2-pentylmorpholin-2-yl)propan-1-amine
CID 174330339
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587
2-hexyl-2-propyloxirane
CID 139691135
2-hexadecyl-2-tetradecyloxirane
CID 71421731
1-[(2-ethylmorpholin-2-yl)methyl]-3-propylurea
CID 165450302
2-chloro-2-ethylmorpholine;hydrochloride
CID 174494069
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-octylmorpholine;hydrate;hydrochloride?
The IUPAC name of 2-ethyl-2-octylmorpholine;hydrate;hydrochloride (CID 67566490) is 2-ethyl-2-octylmorpholine;hydrate;hydrochloride.
What is the SMILES notation for 2-ethyl-2-octylmorpholine;hydrate;hydrochloride?
The canonical SMILES for 2-ethyl-2-octylmorpholine;hydrate;hydrochloride is CCCCCCCCC1(CC)CNCCO1.Cl.O.
What is the InChIKey of 2-ethyl-2-octylmorpholine;hydrate;hydrochloride?
The InChIKey is FFKJQFHVGZUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.ClH.H2O/c1-3-5-6-7-8-9-10-14(4-2)13-15-11-12-16-14;;/h15H,3-13H2,1-2H3;1H;1H2.
What are the key properties of 2-ethyl-2-octylmorpholine;hydrate;hydrochloride?
2-ethyl-2-octylmorpholine;hydrate;hydrochloride has a molecular weight of 281.87 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-octylmorpholine;hydrate;hydrochloride is sourced from PubChem (CID 67566490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).