1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine

C12H25NO2 — CID 116768089

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
SMILESCCOC1(C(N)COC)CCCC(C)C1
InChIInChI=1S/C12H25NO2/c1-4-15-12(11(13)9-14-3)7-5-6-10(2)8-12/h10-11H,4-9,13H2,1-3H3
InChIKeyLTJICGFVGLMLNE-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds5

About 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine

1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine (PubChem CID 116768089) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
PubChem CID116768089
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
SMILESCCOC1(C(N)COC)CCCC(C)C1
InChIInChI=1S/C12H25NO2/c1-4-15-12(11(13)9-14-3)7-5-6-10(2)8-12/h10-11H,4-9,13H2,1-3H3
InChIKeyLTJICGFVGLMLNE-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine
CID 112754280
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine
CID 116768117
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine (CID 116768089) is 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine is CCOC1(C(N)COC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine?
The InChIKey is LTJICGFVGLMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-15-12(11(13)9-14-3)7-5-6-10(2)8-12/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine?
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine is sourced from PubChem (CID 116768089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).