1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

C18H35NO2 — CID 60633455

IUPAC1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC1CCCCC1
InChIInChI=1S/C18H35NO2/c1-2-16-10-6-7-11-18(16)21-14-17(20)13-19-12-15-8-4-3-5-9-15/h15-20H,2-14H2,1H3
InChIKeyKTUCJKRKWHTEGG-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.50
Rot. Bonds8

About 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (PubChem CID 60633455) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
PubChem CID60633455
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC1CCCCC1
InChIInChI=1S/C18H35NO2/c1-2-16-10-6-7-11-18(16)21-14-17(20)13-19-12-15-8-4-3-5-9-15/h15-20H,2-14H2,1H3
InChIKeyKTUCJKRKWHTEGG-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylcyclohexyl)oxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295879
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760627
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
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
CID 116643947
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106275918
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
5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160350
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (CID 60633455) is 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is CCC1CCCCC1OCC(O)CNCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The InChIKey is KTUCJKRKWHTEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-16-10-6-7-11-18(16)21-14-17(20)13-19-12-15-8-4-3-5-9-15/h15-20H,2-14H2,1H3.
What are the key properties of 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol has a molecular weight of 297.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60633455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).