(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine

C8H15NO — CID 129237747

IUPAC(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine
SMILESC/C=C\C(=C/CN)OCC
InChIInChI=1S/C8H15NO/c1-3-5-8(6-7-9)10-4-2/h3,5-6H,4,7,9H2,1-2H3/b5-3-,8-6+
InChIKeyLISBSKXHAPFZOP-CUKJDEOPSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds4

About (2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine

(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine (PubChem CID 129237747) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine
PubChem CID129237747
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine
SMILESC/C=C\C(=C/CN)OCC
InChIInChI=1S/C8H15NO/c1-3-5-8(6-7-9)10-4-2/h3,5-6H,4,7,9H2,1-2H3/b5-3-,8-6+
InChIKeyLISBSKXHAPFZOP-CUKJDEOPSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.44
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)-3-ethoxyhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine (CID 129237747) is (2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine is C/C=C\C(=C/CN)OCC.
What is the InChIKey of (2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine?
The InChIKey is LISBSKXHAPFZOP-CUKJDEOPSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-8(6-7-9)10-4-2/h3,5-6H,4,7,9H2,1-2H3/b5-3-,8-6+.
What are the key properties of (2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine?
(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine is sourced from PubChem (CID 129237747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).