3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine

C13H29NO3 — CID 103033582

IUPAC3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine
SMILESCOCCOCCCCNCCC(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-13(2,16-4)7-9-14-8-5-6-10-17-12-11-15-3/h14H,5-12H2,1-4H3
InChIKeyUGVHPCWCGLVGMF-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.83
Rot. Bonds12

About 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine

3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine (PubChem CID 103033582) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine
PubChem CID103033582
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine
SMILESCOCCOCCCCNCCC(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-13(2,16-4)7-9-14-8-5-6-10-17-12-11-15-3/h14H,5-12H2,1-4H3
InChIKeyUGVHPCWCGLVGMF-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine?
The IUPAC name of 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine (CID 103033582) is 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine?
The canonical SMILES for 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine is COCCOCCCCNCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine?
The InChIKey is UGVHPCWCGLVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-13(2,16-4)7-9-14-8-5-6-10-17-12-11-15-3/h14H,5-12H2,1-4H3.
What are the key properties of 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine?
3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.83, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine is sourced from PubChem (CID 103033582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).