2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol

C9H19NO2 — CID 68639925

IUPAC2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
SMILESOCCNC1CCCCC1CO
InChIInChI=1S/C9H19NO2/c11-6-5-10-9-4-2-1-3-8(9)7-12/h8-12H,1-7H2
InChIKeySFMSOABASKBNBM-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.12
Rot. Bonds4

About 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol

2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol (PubChem CID 68639925) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
PubChem CID68639925
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
SMILESOCCNC1CCCCC1CO
InChIInChI=1S/C9H19NO2/c11-6-5-10-9-4-2-1-3-8(9)7-12/h8-12H,1-7H2
InChIKeySFMSOABASKBNBM-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol (CID 68639925) is 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol is OCCNC1CCCCC1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol?
The InChIKey is SFMSOABASKBNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c11-6-5-10-9-4-2-1-3-8(9)7-12/h8-12H,1-7H2.
What are the key properties of 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol?
2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol has a molecular weight of 173.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol is sourced from PubChem (CID 68639925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).