4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine

C16H36N2O2 — CID 142623125

IUPAC4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine
SMILESCC(C)(C)CCCOCCN1CCOCC1.CCNC
InChIInChI=1S/C13H27NO2.C3H9N/c1-13(2,3)5-4-9-15-10-6-14-7-11-16-12-8-14;1-3-4-2/h4-12H2,1-3H3;4H,3H2,1-2H3
InChIKeyNUVYVJJRNJICCL-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.39
Rot. Bonds7

About 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine

4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine (PubChem CID 142623125) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine.

Molecular Properties

Compound Name4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine
PubChem CID142623125
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine
SMILESCC(C)(C)CCCOCCN1CCOCC1.CCNC
InChIInChI=1S/C13H27NO2.C3H9N/c1-13(2,3)5-4-9-15-10-6-14-7-11-16-12-8-14;1-3-4-2/h4-12H2,1-3H3;4H,3H2,1-2H3
InChIKeyNUVYVJJRNJICCL-UHFFFAOYSA-N
XLogP2.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4,4,5,5-tetramethylhexoxy)ethyl]morpholine
CID 138647821
N-methyl-3-(2-morpholin-4-ylethoxy)propan-1-amine
CID 163400432
4-(2-hexoxyethyl)morpholine
CID 3326674
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
2-methyl-1-(2-morpholin-4-ylethoxy)propan-2-amine
CID 64537619
4-(4-ethoxybutyl)morpholine
CID 10726253
(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
CID 158651768
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
7-(2-morpholin-4-ylethoxy)heptan-1-ol
CID 123873926
4-(4-ethyl-4-methylhexyl)morpholine
CID 134251117

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine?
The IUPAC name of 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine (CID 142623125) is 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine.
What is the SMILES notation for 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine?
The canonical SMILES for 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine is CC(C)(C)CCCOCCN1CCOCC1.CCNC.
What is the InChIKey of 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine?
The InChIKey is NUVYVJJRNJICCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C3H9N/c1-13(2,3)5-4-9-15-10-6-14-7-11-16-12-8-14;1-3-4-2/h4-12H2,1-3H3;4H,3H2,1-2H3.
What are the key properties of 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine?
4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine has a molecular weight of 288.48 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine is sourced from PubChem (CID 142623125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).