1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol

C14H29NO3 — CID 60632867

IUPAC1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCCOC
InChIInChI=1S/C14H29NO3/c1-3-12-6-4-5-7-14(12)18-11-13(16)10-15-8-9-17-2/h12-16H,3-11H2,1-2H3
InChIKeyGBMDLHLKZMMAQW-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.57
Rot. Bonds9

About 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 60632867) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
PubChem CID60632867
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCCOC
InChIInChI=1S/C14H29NO3/c1-3-12-6-4-5-7-14(12)18-11-13(16)10-15-8-9-17-2/h12-16H,3-11H2,1-2H3
InChIKeyGBMDLHLKZMMAQW-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
CID 116643947
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160350
1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760627
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106275918
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188853
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
1-(2-ethylcyclohexyl)oxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295879
2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60901795
4-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146851

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol (CID 60632867) is 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol is CCC1CCCCC1OCC(O)CNCCOC.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is GBMDLHLKZMMAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-12-6-4-5-7-14(12)18-11-13(16)10-15-8-9-17-2/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 60632867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).