3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine

C11H25NO2 — CID 61483552

IUPAC3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
SMILESCOCCCNCCOCCC(C)C
InChIInChI=1S/C11H25NO2/c1-11(2)5-9-14-10-7-12-6-4-8-13-3/h11-12H,4-10H2,1-3H3
InChIKeyHBYWJEHZARKFAS-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.68
Rot. Bonds10

About 3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine

3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine (PubChem CID 61483552) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
PubChem CID61483552
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
SMILESCOCCCNCCOCCC(C)C
InChIInChI=1S/C11H25NO2/c1-11(2)5-9-14-10-7-12-6-4-8-13-3/h11-12H,4-10H2,1-3H3
InChIKeyHBYWJEHZARKFAS-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.68
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-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine (CID 61483552) is 3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine is COCCCNCCOCCC(C)C.
What is the InChIKey of 3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine?
The InChIKey is HBYWJEHZARKFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-11(2)5-9-14-10-7-12-6-4-8-13-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine?
3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine is sourced from PubChem (CID 61483552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).