2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine

C18H37NO2 — CID 151145723

IUPAC2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine
SMILESCCCCCC(CCCC)OCC1CN(C(C)C)CCO1
InChIInChI=1S/C18H37NO2/c1-5-7-9-11-17(10-8-6-2)21-15-18-14-19(16(3)4)12-13-20-18/h16-18H,5-15H2,1-4H3
InChIKeyMXDTUNMSFZJSFG-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.25
Rot. Bonds11

About 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine

2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine (PubChem CID 151145723) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine
PubChem CID151145723
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine
SMILESCCCCCC(CCCC)OCC1CN(C(C)C)CCO1
InChIInChI=1S/C18H37NO2/c1-5-7-9-11-17(10-8-6-2)21-15-18-14-19(16(3)4)12-13-20-18/h16-18H,5-15H2,1-4H3
InChIKeyMXDTUNMSFZJSFG-UHFFFAOYSA-N
XLogP4.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.25
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)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235
4-propan-2-yl-2-propylmorpholine
CID 118118152
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
4-cyclohexyl-2-(decan-4-yloxymethyl)morpholine
CID 151057931
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
1-(4-propan-2-ylmorpholin-2-yl)decan-1-amine
CID 79664269
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
CID 64534117
4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
CID 146614610
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
N-[(4-propan-2-ylmorpholin-2-yl)methyl]hexan-3-amine
CID 64532904
(2S)-4-(2-methylpropyl)-2-(pentoxymethyl)morpholine
CID 167191290

Frequently Asked Questions

What is the IUPAC name of 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine (CID 151145723) is 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine is CCCCCC(CCCC)OCC1CN(C(C)C)CCO1.
What is the InChIKey of 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine?
The InChIKey is MXDTUNMSFZJSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-5-7-9-11-17(10-8-6-2)21-15-18-14-19(16(3)4)12-13-20-18/h16-18H,5-15H2,1-4H3.
What are the key properties of 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine?
2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine has a molecular weight of 299.50 g/mol, XLogP of 4.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decan-5-yloxymethyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 151145723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).