2-ethoxyhexa-1,5-dien-3-amine

C8H15NO — CID 143200849

IUPAC2-ethoxyhexa-1,5-dien-3-amine
SMILESC=CCC(N)C(=C)OCC
InChIInChI=1S/C8H15NO/c1-4-6-8(9)7(3)10-5-2/h4,8H,1,3,5-6,9H2,2H3
InChIKeyPDGGYPFSKKCKFW-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds5

About 2-ethoxyhexa-1,5-dien-3-amine

2-ethoxyhexa-1,5-dien-3-amine (PubChem CID 143200849) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethoxyhexa-1,5-dien-3-amine.

Molecular Properties

Compound Name2-ethoxyhexa-1,5-dien-3-amine
PubChem CID143200849
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethoxyhexa-1,5-dien-3-amine
SMILESC=CCC(N)C(=C)OCC
InChIInChI=1S/C8H15NO/c1-4-6-8(9)7(3)10-5-2/h4,8H,1,3,5-6,9H2,2H3
InChIKeyPDGGYPFSKKCKFW-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyhexa-1,5-dien-3-amine?
The IUPAC name of 2-ethoxyhexa-1,5-dien-3-amine (CID 143200849) is 2-ethoxyhexa-1,5-dien-3-amine.
What is the SMILES notation for 2-ethoxyhexa-1,5-dien-3-amine?
The canonical SMILES for 2-ethoxyhexa-1,5-dien-3-amine is C=CCC(N)C(=C)OCC.
What is the InChIKey of 2-ethoxyhexa-1,5-dien-3-amine?
The InChIKey is PDGGYPFSKKCKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-8(9)7(3)10-5-2/h4,8H,1,3,5-6,9H2,2H3.
What are the key properties of 2-ethoxyhexa-1,5-dien-3-amine?
2-ethoxyhexa-1,5-dien-3-amine has a molecular weight of 141.21 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyhexa-1,5-dien-3-amine is sourced from PubChem (CID 143200849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).