1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine

C13H27NO2 — CID 102928638

IUPAC1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)CCOCCOC
InChIInChI=1S/C13H27NO2/c1-5-7-14-13(11-12(2)3)6-8-16-10-9-15-4/h11,13-14H,5-10H2,1-4H3
InChIKeyFXHNQRWAKYCWKN-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.37
Rot. Bonds10

About 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine

1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine (PubChem CID 102928638) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine
PubChem CID102928638
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)CCOCCOC
InChIInChI=1S/C13H27NO2/c1-5-7-14-13(11-12(2)3)6-8-16-10-9-15-4/h11,13-14H,5-10H2,1-4H3
InChIKeyFXHNQRWAKYCWKN-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.37
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 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine (CID 102928638) is 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine is CCCNC(C=C(C)C)CCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine?
The InChIKey is FXHNQRWAKYCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-7-14-13(11-12(2)3)6-8-16-10-9-15-4/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine?
1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine has a molecular weight of 229.36 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-5-methyl-N-propylhex-4-en-3-amine is sourced from PubChem (CID 102928638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).