(2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine

C9H15NO — CID 126755400

IUPAC(2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine
SMILESC=CN/C(C)=C/C=C\OCC
InChIInChI=1S/C9H15NO/c1-4-10-9(3)7-6-8-11-5-2/h4,6-8,10H,1,5H2,2-3H3/b8-6-,9-7+
InChIKeySAPKUROKADTBCC-MKKAVFGOSA-N
MW153.22 g/mol
LogP2.17
Rot. Bonds5

About (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine

(2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine (PubChem CID 126755400) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine
PubChem CID126755400
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine
SMILESC=CN/C(C)=C/C=C\OCC
InChIInChI=1S/C9H15NO/c1-4-10-9(3)7-6-8-11-5-2/h4,6-8,10H,1,5H2,2-3H3/b8-6-,9-7+
InChIKeySAPKUROKADTBCC-MKKAVFGOSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine (CID 126755400) is (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine is C=CN/C(C)=C/C=C\OCC.
What is the InChIKey of (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine?
The InChIKey is SAPKUROKADTBCC-MKKAVFGOSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-10-9(3)7-6-8-11-5-2/h4,6-8,10H,1,5H2,2-3H3/b8-6-,9-7+.
What are the key properties of (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine?
(2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine has a molecular weight of 153.22 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethenyl-5-ethoxypenta-2,4-dien-2-amine is sourced from PubChem (CID 126755400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).