2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol

C14H30N2O4 — CID 155305830

IUPAC2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol
SMILESOCCNCCO[C@H]1CCCC[C@H]1OCCNCCO
InChIInChI=1S/C14H30N2O4/c17-9-5-15-7-11-19-13-3-1-2-4-14(13)20-12-8-16-6-10-18/h13-18H,1-12H2/t13-,14+
InChIKeyMKLCFFYENZHKNV-OKILXGFUSA-N
MW290.40 g/mol
LogP-0.51
Rot. Bonds12

About 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol

2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol (PubChem CID 155305830) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol
PubChem CID155305830
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol
SMILESOCCNCCO[C@H]1CCCC[C@H]1OCCNCCO
InChIInChI=1S/C14H30N2O4/c17-9-5-15-7-11-19-13-3-1-2-4-14(13)20-12-8-16-6-10-18/h13-18H,1-12H2/t13-,14+
InChIKeyMKLCFFYENZHKNV-OKILXGFUSA-N
XLogP-0.51
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
CID 155269084
2-[2-(propylamino)ethoxy]cyclohexan-1-ol
CID 106939567
2-(cycloundecylmethylamino)ethanol
CID 123930521
3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine
CID 62567076
2-(2-cyclopentylethylamino)ethanol;hydrochloride
CID 22723115
2-(2-cycloheptylethylamino)ethanol
CID 22723010
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol
CID 12753759
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylamino)ethanol
CID 19899992
N-[2-(2-ethylcyclohexyl)oxyethyl]-3-propan-2-yloxypropan-1-amine
CID 62566897
(2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol
CID 63826961
4-[2-(methylamino)cyclohexyl]oxybutan-1-ol
CID 106939139

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol?
The IUPAC name of 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol (CID 155305830) is 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol.
What is the SMILES notation for 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol?
The canonical SMILES for 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol is OCCNCCO[C@H]1CCCC[C@H]1OCCNCCO.
What is the InChIKey of 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol?
The InChIKey is MKLCFFYENZHKNV-OKILXGFUSA-N. The full InChI is InChI=1S/C14H30N2O4/c17-9-5-15-7-11-19-13-3-1-2-4-14(13)20-12-8-16-6-10-18/h13-18H,1-12H2/t13-,14+.
What are the key properties of 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol?
2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol has a molecular weight of 290.40 g/mol, XLogP of -0.51, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R,2S)-2-[2-(2-hydroxyethylamino)ethoxy]cyclohexyl]oxyethylamino]ethanol is sourced from PubChem (CID 155305830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).