[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol

C13H28N2O2 — CID 81065074

IUPAC[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
SMILESCCOCCN(C)C1CCCC(CO)(NC)C1
InChIInChI=1S/C13H28N2O2/c1-4-17-9-8-15(3)12-6-5-7-13(10-12,11-16)14-2/h12,14,16H,4-11H2,1-3H3
InChIKeyPMHBYAJCGYNSGN-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds7

About [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol

[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol (PubChem CID 81065074) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
PubChem CID81065074
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
SMILESCCOCCN(C)C1CCCC(CO)(NC)C1
InChIInChI=1S/C13H28N2O2/c1-4-17-9-8-15(3)12-6-5-7-13(10-12,11-16)14-2/h12,14,16H,4-11H2,1-3H3
InChIKeyPMHBYAJCGYNSGN-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol (CID 81065074) is [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol is CCOCCN(C)C1CCCC(CO)(NC)C1.
What is the InChIKey of [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol?
The InChIKey is PMHBYAJCGYNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-17-9-8-15(3)12-6-5-7-13(10-12,11-16)14-2/h12,14,16H,4-11H2,1-3H3.
What are the key properties of [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol?
[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 81065074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).