[1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol

C12H25NO2 — CID 81412729

IUPAC[1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol
SMILESCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C12H25NO2/c1-2-15-9-8-13-10-12(11-14)6-4-3-5-7-12/h13-14H,2-11H2,1H3
InChIKeyFMGXMFHEYJRECM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.56
Rot. Bonds7

About [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol

[1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol (PubChem CID 81412729) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol
PubChem CID81412729
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol
SMILESCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C12H25NO2/c1-2-15-9-8-13-10-12(11-14)6-4-3-5-7-12/h13-14H,2-11H2,1H3
InChIKeyFMGXMFHEYJRECM-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol (CID 81412729) is [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol is CCOCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol?
The InChIKey is FMGXMFHEYJRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-15-9-8-13-10-12(11-14)6-4-3-5-7-12/h13-14H,2-11H2,1H3.
What are the key properties of [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol?
[1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol has a molecular weight of 215.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethoxyethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).