(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine

C14H29NO2 — CID 167191290

IUPAC(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
SMILESCCCCCOC[C@@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-4-5-6-8-16-12-14-11-15(7-9-17-14)10-13(2)3/h13-14H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyIVNBXYCQFVHQPP-AWEZNQCLSA-N
MW243.39 g/mol
LogP2.55
Rot. Bonds8

About (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine

(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine (PubChem CID 167191290) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
PubChem CID167191290
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
SMILESCCCCCOC[C@@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-4-5-6-8-16-12-14-11-15(7-9-17-14)10-13(2)3/h13-14H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyIVNBXYCQFVHQPP-AWEZNQCLSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.55
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

3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 161456094
2-[2-(dodecoxymethyl)morpholin-4-yl]ethanol;hydrochloride
CID 173446629
4-butyl-2-(propoxymethyl)morpholine;ethane
CID 169214166
N-methyl-3-[[(2R)-4-propylmorpholin-2-yl]methoxy]propan-1-amine
CID 169214682
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
1-(3-butoxypropyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111239822
(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
CID 104875585
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
2-(pentoxymethyl)oxirane
CID 160890113
1-[1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-4-yl]ethanamine
CID 63595361
2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol
CID 112689933

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine?
The IUPAC name of (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine (CID 167191290) is (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine?
The canonical SMILES for (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine is CCCCCOC[C@@H]1CN(CC(C)C)CCO1.
What is the InChIKey of (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine?
The InChIKey is IVNBXYCQFVHQPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-5-6-8-16-12-14-11-15(7-9-17-14)10-13(2)3/h13-14H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine?
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine has a molecular weight of 243.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine is sourced from PubChem (CID 167191290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).