N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine

C12H27NO2 — CID 129164544

IUPACN-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine
SMILESCCNCCOCCOCCCC(C)C
InChIInChI=1S/C12H27NO2/c1-4-13-7-9-15-11-10-14-8-5-6-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyMYKFZGTVPSHBSJ-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.07
Rot. Bonds11

About N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine

N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine (PubChem CID 129164544) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine
PubChem CID129164544
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine
SMILESCCNCCOCCOCCCC(C)C
InChIInChI=1S/C12H27NO2/c1-4-13-7-9-15-11-10-14-8-5-6-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyMYKFZGTVPSHBSJ-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.07
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 N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine (CID 129164544) is N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine is CCNCCOCCOCCCC(C)C.
What is the InChIKey of N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine?
The InChIKey is MYKFZGTVPSHBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-13-7-9-15-11-10-14-8-5-6-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine?
N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine has a molecular weight of 217.35 g/mol, XLogP of 2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-methylpentoxy)ethoxy]ethanamine is sourced from PubChem (CID 129164544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).