6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine

C13H29NO3 — CID 103406579

IUPAC6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
SMILESCNCCCCCCOCCCOCCOC
InChIInChI=1S/C13H29NO3/c1-14-8-5-3-4-6-9-16-10-7-11-17-13-12-15-2/h14H,3-13H2,1-2H3
InChIKeyLKMYFJUTKZNHMP-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.84
Rot. Bonds14

About 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine

6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine (PubChem CID 103406579) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
PubChem CID103406579
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
SMILESCNCCCCCCOCCCOCCOC
InChIInChI=1S/C13H29NO3/c1-14-8-5-3-4-6-9-16-10-7-11-17-13-12-15-2/h14H,3-13H2,1-2H3
InChIKeyLKMYFJUTKZNHMP-UHFFFAOYSA-N
XLogP1.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.84
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

ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine
CID 176551886
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
1,8-bis(2-methoxyethoxy)octane
CID 143118909
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine;1-methoxy-2-(2-methoxyethoxy)ethane
CID 168897586
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 155331327
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine?
The IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine (CID 103406579) is 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine.
What is the SMILES notation for 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine?
The canonical SMILES for 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine is CNCCCCCCOCCCOCCOC.
What is the InChIKey of 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine?
The InChIKey is LKMYFJUTKZNHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-14-8-5-3-4-6-9-16-10-7-11-17-13-12-15-2/h14H,3-13H2,1-2H3.
What are the key properties of 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine?
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.84, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine is sourced from PubChem (CID 103406579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).