5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol

C17H35NO3 — CID 106160350

IUPAC5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
SMILESCCC1CCCCC1OCC(O)CNCCCC(C)CO
InChIInChI=1S/C17H35NO3/c1-3-15-8-4-5-9-17(15)21-13-16(20)11-18-10-6-7-14(2)12-19/h14-20H,3-13H2,1-2H3
InChIKeyALBWEJDNLPPBQW-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.33
Rot. Bonds11

About 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol

5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol (PubChem CID 106160350) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
PubChem CID106160350
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
SMILESCCC1CCCCC1OCC(O)CNCCCC(C)CO
InChIInChI=1S/C17H35NO3/c1-3-15-8-4-5-9-17(15)21-13-16(20)11-18-10-6-7-14(2)12-19/h14-20H,3-13H2,1-2H3
InChIKeyALBWEJDNLPPBQW-UHFFFAOYSA-N
XLogP2.33
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
1-(2-ethylcyclohexyl)oxy-3-(hexan-2-ylamino)propan-2-ol
CID 62200593
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-(methoxyamino)propan-2-ol
CID 60702585
1-(2-ethylcyclohexyl)oxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295879
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
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol (CID 106160350) is 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol is CCC1CCCCC1OCC(O)CNCCCC(C)CO.
What is the InChIKey of 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
The InChIKey is ALBWEJDNLPPBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-3-15-8-4-5-9-17(15)21-13-16(20)11-18-10-6-7-14(2)12-19/h14-20H,3-13H2,1-2H3.
What are the key properties of 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol?
5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol has a molecular weight of 301.47 g/mol, XLogP of 2.33, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106160350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).