1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol

C17H33NO3 — CID 61040455

IUPAC1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCCC1CCCO1
InChIInChI=1S/C17H33NO3/c1-2-14-6-3-4-8-17(14)21-13-15(19)12-18-10-9-16-7-5-11-20-16/h14-19H,2-13H2,1H3
InChIKeyIBDREWMIQMRGDR-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.49
Rot. Bonds9

About 1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol (PubChem CID 61040455) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
PubChem CID61040455
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCCC1CCCO1
InChIInChI=1S/C17H33NO3/c1-2-14-6-3-4-8-17(14)21-13-15(19)12-18-10-9-16-7-5-11-20-16/h14-19H,2-13H2,1H3
InChIKeyIBDREWMIQMRGDR-UHFFFAOYSA-N
XLogP2.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.49
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-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603
1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040454
1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
CID 60632867
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
CID 116643947
(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol
CID 61141174
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
4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol
CID 107152092
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61038865
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188853

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol (CID 61040455) is 1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol is CCC1CCCCC1OCC(O)CNCCC1CCCO1.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The InChIKey is IBDREWMIQMRGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-2-14-6-3-4-8-17(14)21-13-15(19)12-18-10-9-16-7-5-11-20-16/h14-19H,2-13H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol has a molecular weight of 299.46 g/mol, XLogP of 2.49, 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-(oxolan-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 61040455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).