(E,2R)-5-ethoxypent-3-en-2-amine

C7H15NO — CID 129160654

IUPAC(E,2R)-5-ethoxypent-3-en-2-amine
SMILESCCOC/C=C/[C@@H](C)N
InChIInChI=1S/C7H15NO/c1-3-9-6-4-5-7(2)8/h4-5,7H,3,6,8H2,1-2H3/b5-4+/t7-/m1/s1
InChIKeyPRRDNQSDFLKXHU-SMMXGFFBSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds4

About (E,2R)-5-ethoxypent-3-en-2-amine

(E,2R)-5-ethoxypent-3-en-2-amine (PubChem CID 129160654) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E,2R)-5-ethoxypent-3-en-2-amine.

Molecular Properties

Compound Name(E,2R)-5-ethoxypent-3-en-2-amine
PubChem CID129160654
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E,2R)-5-ethoxypent-3-en-2-amine
SMILESCCOC/C=C/[C@@H](C)N
InChIInChI=1S/C7H15NO/c1-3-9-6-4-5-7(2)8/h4-5,7H,3,6,8H2,1-2H3/b5-4+/t7-/m1/s1
InChIKeyPRRDNQSDFLKXHU-SMMXGFFBSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze (E,2R)-5-ethoxypent-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-ethoxypent-3-en-2-amine?
The IUPAC name of (E,2R)-5-ethoxypent-3-en-2-amine (CID 129160654) is (E,2R)-5-ethoxypent-3-en-2-amine.
What is the SMILES notation for (E,2R)-5-ethoxypent-3-en-2-amine?
The canonical SMILES for (E,2R)-5-ethoxypent-3-en-2-amine is CCOC/C=C/[C@@H](C)N.
What is the InChIKey of (E,2R)-5-ethoxypent-3-en-2-amine?
The InChIKey is PRRDNQSDFLKXHU-SMMXGFFBSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-9-6-4-5-7(2)8/h4-5,7H,3,6,8H2,1-2H3/b5-4+/t7-/m1/s1.
What are the key properties of (E,2R)-5-ethoxypent-3-en-2-amine?
(E,2R)-5-ethoxypent-3-en-2-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-ethoxypent-3-en-2-amine is sourced from PubChem (CID 129160654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).