[1-(ethoxymethoxy)cyclohexyl]methanamine

C10H21NO2 — CID 65364868

IUPAC[1-(ethoxymethoxy)cyclohexyl]methanamine
SMILESCCOCOC1(CN)CCCCC1
InChIInChI=1S/C10H21NO2/c1-2-12-9-13-10(8-11)6-4-3-5-7-10/h2-9,11H2,1H3
InChIKeyNUOWBARIJVUCHR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.66
Rot. Bonds5

About [1-(ethoxymethoxy)cyclohexyl]methanamine

[1-(ethoxymethoxy)cyclohexyl]methanamine (PubChem CID 65364868) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [1-(ethoxymethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(ethoxymethoxy)cyclohexyl]methanamine
PubChem CID65364868
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[1-(ethoxymethoxy)cyclohexyl]methanamine
SMILESCCOCOC1(CN)CCCCC1
InChIInChI=1S/C10H21NO2/c1-2-12-9-13-10(8-11)6-4-3-5-7-10/h2-9,11H2,1H3
InChIKeyNUOWBARIJVUCHR-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.66
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)cyclohexyl]methanamine?
The IUPAC name of [1-(ethoxymethoxy)cyclohexyl]methanamine (CID 65364868) is [1-(ethoxymethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(ethoxymethoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(ethoxymethoxy)cyclohexyl]methanamine is CCOCOC1(CN)CCCCC1.
What is the InChIKey of [1-(ethoxymethoxy)cyclohexyl]methanamine?
The InChIKey is NUOWBARIJVUCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-12-9-13-10(8-11)6-4-3-5-7-10/h2-9,11H2,1H3.
What are the key properties of [1-(ethoxymethoxy)cyclohexyl]methanamine?
[1-(ethoxymethoxy)cyclohexyl]methanamine has a molecular weight of 187.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethoxymethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65364868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).