4-dodecyl-2-ethylmorpholine

C18H37NO — CID 4616518

IUPAC4-dodecyl-2-ethylmorpholine
SMILESCCCCCCCCCCCCN1CCOC(CC)C1
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-16-20-18(4-2)17-19/h18H,3-17H2,1-2H3
InChIKeyXZGVMGAHUKXLJT-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.02
Rot. Bonds12

About 4-dodecyl-2-ethylmorpholine

4-dodecyl-2-ethylmorpholine (PubChem CID 4616518) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-dodecyl-2-ethylmorpholine.

Molecular Properties

Compound Name4-dodecyl-2-ethylmorpholine
PubChem CID4616518
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-dodecyl-2-ethylmorpholine
SMILESCCCCCCCCCCCCN1CCOC(CC)C1
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-16-20-18(4-2)17-19/h18H,3-17H2,1-2H3
InChIKeyXZGVMGAHUKXLJT-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-dodecyl-2-ethylmorpholine 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

(2S)-2-butyl-4-decylmorpholine
CID 98152093
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
2-benzyl-4-dodecylmorpholine
CID 70634633
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
2,4-diethylmorpholine
CID 58988021
N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60850473
5-(2-ethylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82017099
5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
CID 65254891
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510

Frequently Asked Questions

What is the IUPAC name of 4-dodecyl-2-ethylmorpholine?
The IUPAC name of 4-dodecyl-2-ethylmorpholine (CID 4616518) is 4-dodecyl-2-ethylmorpholine.
What is the SMILES notation for 4-dodecyl-2-ethylmorpholine?
The canonical SMILES for 4-dodecyl-2-ethylmorpholine is CCCCCCCCCCCCN1CCOC(CC)C1.
What is the InChIKey of 4-dodecyl-2-ethylmorpholine?
The InChIKey is XZGVMGAHUKXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-16-20-18(4-2)17-19/h18H,3-17H2,1-2H3.
What are the key properties of 4-dodecyl-2-ethylmorpholine?
4-dodecyl-2-ethylmorpholine has a molecular weight of 283.50 g/mol, XLogP of 5.02, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-2-ethylmorpholine is sourced from PubChem (CID 4616518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).