1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

C17H35NO2 — CID 103461387

IUPAC1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC(C)(C)CC
InChIInChI=1S/C17H35NO2/c1-5-14-9-7-8-10-16(14)20-12-15(19)11-18-13-17(3,4)6-2/h14-16,18-19H,5-13H2,1-4H3
InChIKeyAIGXBVKICKTCCD-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.36
Rot. Bonds9

About 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (PubChem CID 103461387) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
PubChem CID103461387
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC(C)(C)CC
InChIInChI=1S/C17H35NO2/c1-5-14-9-7-8-10-16(14)20-12-15(19)11-18-13-17(3,4)6-2/h14-16,18-19H,5-13H2,1-4H3
InChIKeyAIGXBVKICKTCCD-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146851
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-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
CID 60632867
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188853
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
CID 116643947
2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60901795
5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160350
1-(2-ethylcyclohexyl)oxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295879

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (CID 103461387) is 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is CCC1CCCCC1OCC(O)CNCC(C)(C)CC.
What is the InChIKey of 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The InChIKey is AIGXBVKICKTCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-14-9-7-8-10-16(14)20-12-15(19)11-18-13-17(3,4)6-2/h14-16,18-19H,5-13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol has a molecular weight of 285.47 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 103461387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).