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

C14H29NO2 — CID 172516822

IUPAC(2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine
SMILESCC(C)CCCO[C@@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-12(2)6-5-8-16-14-11-15(7-9-17-14)10-13(3)4/h12-14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyJSJLZIUUYKFWCB-AWEZNQCLSA-N
MW243.39 g/mol
LogP2.75
Rot. Bonds7

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

(2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine (PubChem CID 172516822) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine
PubChem CID172516822
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine
SMILESCC(C)CCCO[C@@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-12(2)6-5-8-16-14-11-15(7-9-17-14)10-13(3)4/h12-14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyJSJLZIUUYKFWCB-AWEZNQCLSA-N
XLogP2.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.75
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

(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
ethane;2-methyl-4-(2-methylpropyl)morpholine
CID 156652353
2-(6-methylheptoxy)oxane
CID 139685112
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
CID 138727344
1-methoxy-3-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-2-ol
CID 62014967
3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 161456094
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
2-[(3S,7R)-3,7,11-trimethyldodecoxy]oxane
CID 70570325
5-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxypentane-2-thiol
CID 167243371

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine?
The IUPAC name of (2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine (CID 172516822) is (2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine.
What is the SMILES notation for (2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine?
The canonical SMILES for (2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine is CC(C)CCCO[C@@H]1CN(CC(C)C)CCO1.
What is the InChIKey of (2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine?
The InChIKey is JSJLZIUUYKFWCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)6-5-8-16-14-11-15(7-9-17-14)10-13(3)4/h12-14H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine?
(2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine has a molecular weight of 243.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 172516822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).