4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine

C18H36N2O4 — CID 10831318

IUPAC4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine
SMILESCC(COCCOCCCCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C18H36N2O4/c1-18(16-20-7-12-23-13-8-20)17-24-15-14-21-9-3-2-4-19-5-10-22-11-6-19/h18H,2-17H2,1H3
InChIKeyROVZKIQVXHAGNF-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.10
Rot. Bonds12

About 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine

4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine (PubChem CID 10831318) has the molecular formula C18H36N2O4 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine
PubChem CID10831318
Molecular FormulaC18H36N2O4
Molecular Weight344.50 g/mol
Exact Mass344.27
IUPAC Name4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine
SMILESCC(COCCOCCCCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C18H36N2O4/c1-18(16-20-7-12-23-13-8-20)17-24-15-14-21-9-3-2-4-19-5-10-22-11-6-19/h18H,2-17H2,1H3
InChIKeyROVZKIQVXHAGNF-UHFFFAOYSA-N
XLogP1.10
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxybutyl)morpholine
CID 10726253
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
4-(2-hexoxyethyl)morpholine
CID 3326674
4-[(2S)-2-methyl-3-propan-2-yloxypropyl]morpholine
CID 172528802
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
4-[(4S)-6-methoxy-4-methylhexyl]morpholine
CID 174809436
7-(2-morpholin-4-ylethoxy)heptan-1-ol
CID 123873926
1-morpholin-4-yl-2-(3-morpholin-4-ylpropoxy)ethanol
CID 57150706
N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine
CID 171540702
N-methyl-3-(2-morpholin-4-ylethoxy)propan-1-amine
CID 163400432
1-butoxy-3-morpholin-4-ylpropane-2-thiol
CID 14937158
6-(2-morpholin-4-ylethoxy)hexanamide
CID 67176571

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine?
The IUPAC name of 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine (CID 10831318) is 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine?
The canonical SMILES for 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine is CC(COCCOCCCCN1CCOCC1)CN1CCOCC1.
What is the InChIKey of 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine?
The InChIKey is ROVZKIQVXHAGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4/c1-18(16-20-7-12-23-13-8-20)17-24-15-14-21-9-3-2-4-19-5-10-22-11-6-19/h18H,2-17H2,1H3.
What are the key properties of 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine?
4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine has a molecular weight of 344.50 g/mol, XLogP of 1.10, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine is sourced from PubChem (CID 10831318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).