[1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine

C11H23NO2 — CID 65364869

IUPAC[1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine
SMILESCCOCOC1(CN)CCC(C)CC1
InChIInChI=1S/C11H23NO2/c1-3-13-9-14-11(8-12)6-4-10(2)5-7-11/h10H,3-9,12H2,1-2H3
InChIKeyUJPBIVHRQBDKPS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.90
Rot. Bonds5

About [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine

[1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine (PubChem CID 65364869) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine
PubChem CID65364869
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine
SMILESCCOCOC1(CN)CCC(C)CC1
InChIInChI=1S/C11H23NO2/c1-3-13-9-14-11(8-12)6-4-10(2)5-7-11/h10H,3-9,12H2,1-2H3
InChIKeyUJPBIVHRQBDKPS-UHFFFAOYSA-N
XLogP1.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine (CID 65364869) is [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine is CCOCOC1(CN)CCC(C)CC1.
What is the InChIKey of [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is UJPBIVHRQBDKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-13-9-14-11(8-12)6-4-10(2)5-7-11/h10H,3-9,12H2,1-2H3.
What are the key properties of [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine?
[1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 201.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethoxymethoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 65364869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).