N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine

C12H25NO2 — CID 102928426

IUPACN-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)CCOCCOC
InChIInChI=1S/C12H25NO2/c1-5-13-12(10-11(2)3)6-7-15-9-8-14-4/h10,12-13H,5-9H2,1-4H3
InChIKeyRJJOQLXEHVVNNB-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds9

About N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine

N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine (PubChem CID 102928426) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine
PubChem CID102928426
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)CCOCCOC
InChIInChI=1S/C12H25NO2/c1-5-13-12(10-11(2)3)6-7-15-9-8-14-4/h10,12-13H,5-9H2,1-4H3
InChIKeyRJJOQLXEHVVNNB-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine?
The IUPAC name of N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine (CID 102928426) is N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine?
The canonical SMILES for N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine is CCNC(C=C(C)C)CCOCCOC.
What is the InChIKey of N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine?
The InChIKey is RJJOQLXEHVVNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-13-12(10-11(2)3)6-7-15-9-8-14-4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine?
N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyethoxy)-5-methylhex-4-en-3-amine is sourced from PubChem (CID 102928426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).