4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine

C10H21NO2 — CID 59444122

IUPAC4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine
SMILESCOCCOC1CCC(C)(N)CC1
InChIInChI=1S/C10H21NO2/c1-10(11)5-3-9(4-6-10)13-8-7-12-2/h9H,3-8,11H2,1-2H3
InChIKeyDAVWDXIGCXJIGV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.31
Rot. Bonds4

About 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine

4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine (PubChem CID 59444122) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine
PubChem CID59444122
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine
SMILESCOCCOC1CCC(C)(N)CC1
InChIInChI=1S/C10H21NO2/c1-10(11)5-3-9(4-6-10)13-8-7-12-2/h9H,3-8,11H2,1-2H3
InChIKeyDAVWDXIGCXJIGV-UHFFFAOYSA-N
XLogP1.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine?
The IUPAC name of 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine (CID 59444122) is 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine is COCCOC1CCC(C)(N)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine?
The InChIKey is DAVWDXIGCXJIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(11)5-3-9(4-6-10)13-8-7-12-2/h9H,3-8,11H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine?
4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-methylcyclohexan-1-amine is sourced from PubChem (CID 59444122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).