1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine

C13H27NO2 — CID 116768285

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
SMILESCCOC1(C(COC)NC)CCCC(C)C1
InChIInChI=1S/C13H27NO2/c1-5-16-13(12(14-3)10-15-4)8-6-7-11(2)9-13/h11-12,14H,5-10H2,1-4H3
InChIKeyVWBVQWGHAZPCKV-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds6

About 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine

1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine (PubChem CID 116768285) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
PubChem CID116768285
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
SMILESCCOC1(C(COC)NC)CCCC(C)C1
InChIInChI=1S/C13H27NO2/c1-5-16-13(12(14-3)10-15-4)8-6-7-11(2)9-13/h11-12,14H,5-10H2,1-4H3
InChIKeyVWBVQWGHAZPCKV-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116768244
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
1-(1-ethoxy-3-methylcyclohexyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116768268
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051193
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116768455
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine
CID 112754280
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine (CID 116768285) is 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine is CCOC1(C(COC)NC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine?
The InChIKey is VWBVQWGHAZPCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-16-13(12(14-3)10-15-4)8-6-7-11(2)9-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine?
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 6 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-methoxy-N-methylethanamine is sourced from PubChem (CID 116768285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).