5-ethoxy-N-methylpent-3-en-1-amine

C8H17NO — CID 79590035

IUPAC5-ethoxy-N-methylpent-3-en-1-amine
SMILESCCOCC=CCCNC
InChIInChI=1S/C8H17NO/c1-3-10-8-6-4-5-7-9-2/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyXDTJSTJBIKQGKR-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds6

About 5-ethoxy-N-methylpent-3-en-1-amine

5-ethoxy-N-methylpent-3-en-1-amine (PubChem CID 79590035) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-ethoxy-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-ethoxy-N-methylpent-3-en-1-amine
PubChem CID79590035
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-ethoxy-N-methylpent-3-en-1-amine
SMILESCCOCC=CCCNC
InChIInChI=1S/C8H17NO/c1-3-10-8-6-4-5-7-9-2/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyXDTJSTJBIKQGKR-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-ethoxy-N-methylpent-3-en-1-amine?
The IUPAC name of 5-ethoxy-N-methylpent-3-en-1-amine (CID 79590035) is 5-ethoxy-N-methylpent-3-en-1-amine.
What is the SMILES notation for 5-ethoxy-N-methylpent-3-en-1-amine?
The canonical SMILES for 5-ethoxy-N-methylpent-3-en-1-amine is CCOCC=CCCNC.
What is the InChIKey of 5-ethoxy-N-methylpent-3-en-1-amine?
The InChIKey is XDTJSTJBIKQGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-10-8-6-4-5-7-9-2/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of 5-ethoxy-N-methylpent-3-en-1-amine?
5-ethoxy-N-methylpent-3-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-methylpent-3-en-1-amine is sourced from PubChem (CID 79590035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).