N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine

C11H23NO2 — CID 82712267

IUPACN-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine
SMILESCOCCONC1CC(C)CCC1C
InChIInChI=1S/C11H23NO2/c1-9-4-5-10(2)11(8-9)12-14-7-6-13-3/h9-12H,4-8H2,1-3H3
InChIKeyLLHMGDCOTINBHA-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.98
Rot. Bonds5

About N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine

N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine (PubChem CID 82712267) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine
PubChem CID82712267
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine
SMILESCOCCONC1CC(C)CCC1C
InChIInChI=1S/C11H23NO2/c1-9-4-5-10(2)11(8-9)12-14-7-6-13-3/h9-12H,4-8H2,1-3H3
InChIKeyLLHMGDCOTINBHA-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine (CID 82712267) is N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine is COCCONC1CC(C)CCC1C.
What is the InChIKey of N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is LLHMGDCOTINBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9-4-5-10(2)11(8-9)12-14-7-6-13-3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine?
N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 82712267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).