(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine

C14H28N2O2 — CID 22094762

IUPAC(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
SMILESC=CCCNCCOCCOCCNC/C=C/C
InChIInChI=1S/C14H28N2O2/c1-3-5-7-15-9-11-17-13-14-18-12-10-16-8-6-4-2/h3-4,6,15-16H,1,5,7-14H2,2H3/b6-4+
InChIKeyRZSYKACANWZJKA-GQCTYLIASA-N
MW256.39 g/mol
LogP1.35
Rot. Bonds14

About (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine

(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine (PubChem CID 22094762) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
PubChem CID22094762
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
SMILESC=CCCNCCOCCOCCNC/C=C/C
InChIInChI=1S/C14H28N2O2/c1-3-5-7-15-9-11-17-13-14-18-12-10-16-8-6-4-2/h3-4,6,15-16H,1,5,7-14H2,2H3/b6-4+
InChIKeyRZSYKACANWZJKA-GQCTYLIASA-N
XLogP1.35
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine?
The IUPAC name of (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine (CID 22094762) is (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine is C=CCCNCCOCCOCCNC/C=C/C.
What is the InChIKey of (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine?
The InChIKey is RZSYKACANWZJKA-GQCTYLIASA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-7-15-9-11-17-13-14-18-12-10-16-8-6-4-2/h3-4,6,15-16H,1,5,7-14H2,2H3/b6-4+.
What are the key properties of (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine?
(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.35, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine is sourced from PubChem (CID 22094762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).