3-ethyl-6-(2-methoxyethoxy)hexan-3-amine

C11H25NO2 — CID 103414969

IUPAC3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
SMILESCCC(N)(CC)CCCOCCOC
InChIInChI=1S/C11H25NO2/c1-4-11(12,5-2)7-6-8-14-10-9-13-3/h4-10,12H2,1-3H3
InChIKeyAMBVHHWKOXCBMA-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.95
Rot. Bonds9

About 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine

3-ethyl-6-(2-methoxyethoxy)hexan-3-amine (PubChem CID 103414969) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine.

Molecular Properties

Compound Name3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
PubChem CID103414969
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
SMILESCCC(N)(CC)CCCOCCOC
InChIInChI=1S/C11H25NO2/c1-4-11(12,5-2)7-6-8-14-10-9-13-3/h4-10,12H2,1-3H3
InChIKeyAMBVHHWKOXCBMA-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine?
The IUPAC name of 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine (CID 103414969) is 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine.
What is the SMILES notation for 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine?
The canonical SMILES for 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine is CCC(N)(CC)CCCOCCOC.
What is the InChIKey of 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine?
The InChIKey is AMBVHHWKOXCBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-11(12,5-2)7-6-8-14-10-9-13-3/h4-10,12H2,1-3H3.
What are the key properties of 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine?
3-ethyl-6-(2-methoxyethoxy)hexan-3-amine has a molecular weight of 203.33 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-methoxyethoxy)hexan-3-amine is sourced from PubChem (CID 103414969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).