2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol

C13H27NO2 — CID 62265985

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)CC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-2-8-14(9-10-15)11-13(12-16)6-4-3-5-7-13/h15-16H,2-12H2,1H3
InChIKeyJCEKYVZTXCIIOR-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.63
Rot. Bonds7

About 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol

2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol (PubChem CID 62265985) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol
PubChem CID62265985
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)CC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-2-8-14(9-10-15)11-13(12-16)6-4-3-5-7-13/h15-16H,2-12H2,1H3
InChIKeyJCEKYVZTXCIIOR-UHFFFAOYSA-N
XLogP1.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62271114
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CID 62271295
CID 62271295
CID 62272064
CID 62272064
CID 65531655
CID 65531655
CID 107487094
CID 107487094
CID 107487125
CID 107487125
CID 107487147
CID 107487147
CID 107487176
CID 107487176
CID 107487216
CID 107487216
CID 107487240
CID 107487240
CID 107487261
CID 107487261

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol (CID 62265985) is 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol is CCCN(CCO)CC1(CO)CCCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol?
The InChIKey is JCEKYVZTXCIIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-8-14(9-10-15)11-13(12-16)6-4-3-5-7-13/h15-16H,2-12H2,1H3.
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol?
2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol has a molecular weight of 229.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol is sourced from PubChem (CID 62265985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).