5-ethoxypent-1-en-3-amine

C7H15NO — CID 105161326

IUPAC5-ethoxypent-1-en-3-amine
SMILESC=CC(N)CCOCC
InChIInChI=1S/C7H15NO/c1-3-7(8)5-6-9-4-2/h3,7H,1,4-6,8H2,2H3
InChIKeyDKVPVFHSBPVLNC-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds5

About 5-ethoxypent-1-en-3-amine

5-ethoxypent-1-en-3-amine (PubChem CID 105161326) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 5-ethoxypent-1-en-3-amine.

Molecular Properties

Compound Name5-ethoxypent-1-en-3-amine
PubChem CID105161326
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name5-ethoxypent-1-en-3-amine
SMILESC=CC(N)CCOCC
InChIInChI=1S/C7H15NO/c1-3-7(8)5-6-9-4-2/h3,7H,1,4-6,8H2,2H3
InChIKeyDKVPVFHSBPVLNC-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
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-ethoxypent-1-en-3-amine?
The IUPAC name of 5-ethoxypent-1-en-3-amine (CID 105161326) is 5-ethoxypent-1-en-3-amine.
What is the SMILES notation for 5-ethoxypent-1-en-3-amine?
The canonical SMILES for 5-ethoxypent-1-en-3-amine is C=CC(N)CCOCC.
What is the InChIKey of 5-ethoxypent-1-en-3-amine?
The InChIKey is DKVPVFHSBPVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-7(8)5-6-9-4-2/h3,7H,1,4-6,8H2,2H3.
What are the key properties of 5-ethoxypent-1-en-3-amine?
5-ethoxypent-1-en-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypent-1-en-3-amine is sourced from PubChem (CID 105161326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).