2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine

C14H29NO2 — CID 79364665

IUPAC2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine
SMILESCCCC(C)C1OCCCC1CNCCOC
InChIInChI=1S/C14H29NO2/c1-4-6-12(2)14-13(7-5-9-17-14)11-15-8-10-16-3/h12-15H,4-11H2,1-3H3
InChIKeyQOPOEZJAXOAPPP-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.45
Rot. Bonds8

About 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine

2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine (PubChem CID 79364665) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine
PubChem CID79364665
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine
SMILESCCCC(C)C1OCCCC1CNCCOC
InChIInChI=1S/C14H29NO2/c1-4-6-12(2)14-13(7-5-9-17-14)11-15-8-10-16-3/h12-15H,4-11H2,1-3H3
InChIKeyQOPOEZJAXOAPPP-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.45
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 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine (CID 79364665) is 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine is CCCC(C)C1OCCCC1CNCCOC.
What is the InChIKey of 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine?
The InChIKey is QOPOEZJAXOAPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-6-12(2)14-13(7-5-9-17-14)11-15-8-10-16-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine?
2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine has a molecular weight of 243.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-pentan-2-yloxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79364665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).