3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine

C13H29NO3 — CID 104564561

IUPAC3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
SMILESCCC(CCOCCOCCOC)C(C)NC
InChIInChI=1S/C13H29NO3/c1-5-13(12(2)14-3)6-7-16-10-11-17-9-8-15-4/h12-14H,5-11H2,1-4H3
InChIKeyXQPQVSBYSCKNOM-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.69
Rot. Bonds12

About 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine

3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine (PubChem CID 104564561) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
PubChem CID104564561
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
SMILESCCC(CCOCCOCCOC)C(C)NC
InChIInChI=1S/C13H29NO3/c1-5-13(12(2)14-3)6-7-16-10-11-17-9-8-15-4/h12-14H,5-11H2,1-4H3
InChIKeyXQPQVSBYSCKNOM-UHFFFAOYSA-N
XLogP1.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 60999751
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane
CID 104568738
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567739
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
CID 104560721
5-ethoxy-N,3-diethylpentan-2-amine
CID 60999530
5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane
CID 103411865
1-[2-(2-methoxyethoxy)ethoxy]-N-methylpropan-2-amine
CID 104560820
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylpropan-2-amine
CID 104560632
1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine
CID 102928078
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine?
The IUPAC name of 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine (CID 104564561) is 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine.
What is the SMILES notation for 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine?
The canonical SMILES for 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine is CCC(CCOCCOCCOC)C(C)NC.
What is the InChIKey of 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine?
The InChIKey is XQPQVSBYSCKNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-5-13(12(2)14-3)6-7-16-10-11-17-9-8-15-4/h12-14H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine?
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 1.69, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine is sourced from PubChem (CID 104564561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).