4-butyl-2-(propoxymethyl)morpholine;ethane

C14H31NO2 — CID 169214166

IUPAC4-butyl-2-(propoxymethyl)morpholine;ethane
SMILESCC.CCCCN1CCOC(COCCC)C1
InChIInChI=1S/C12H25NO2.C2H6/c1-3-5-6-13-7-9-15-12(10-13)11-14-8-4-2;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyAEKCAIVSFYEUGS-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.94
Rot. Bonds7

About 4-butyl-2-(propoxymethyl)morpholine;ethane

4-butyl-2-(propoxymethyl)morpholine;ethane (PubChem CID 169214166) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-butyl-2-(propoxymethyl)morpholine;ethane.

Molecular Properties

Compound Name4-butyl-2-(propoxymethyl)morpholine;ethane
PubChem CID169214166
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name4-butyl-2-(propoxymethyl)morpholine;ethane
SMILESCC.CCCCN1CCOC(COCCC)C1
InChIInChI=1S/C12H25NO2.C2H6/c1-3-5-6-13-7-9-15-12(10-13)11-14-8-4-2;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyAEKCAIVSFYEUGS-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride
CID 173446629
N-methyl-3-[[(2R)-4-propylmorpholin-2-yl]methoxy]propan-1-amine
CID 169214682
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290
N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677
4-dodecyl-2-ethylmorpholine
CID 4616518
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
(2S)-2-butyl-4-decylmorpholine
CID 98152093
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
CID 156795250
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(propoxymethyl)morpholine;ethane?
The IUPAC name of 4-butyl-2-(propoxymethyl)morpholine;ethane (CID 169214166) is 4-butyl-2-(propoxymethyl)morpholine;ethane.
What is the SMILES notation for 4-butyl-2-(propoxymethyl)morpholine;ethane?
The canonical SMILES for 4-butyl-2-(propoxymethyl)morpholine;ethane is CC.CCCCN1CCOC(COCCC)C1.
What is the InChIKey of 4-butyl-2-(propoxymethyl)morpholine;ethane?
The InChIKey is AEKCAIVSFYEUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.C2H6/c1-3-5-6-13-7-9-15-12(10-13)11-14-8-4-2;1-2/h12H,3-11H2,1-2H3;1-2H3.
What are the key properties of 4-butyl-2-(propoxymethyl)morpholine;ethane?
4-butyl-2-(propoxymethyl)morpholine;ethane has a molecular weight of 245.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(propoxymethyl)morpholine;ethane is sourced from PubChem (CID 169214166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).