2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine

C9H15NO — CID 143097696

IUPAC2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine
SMILESC=C/C=C\C(=C)COCCN
InChIInChI=1S/C9H15NO/c1-3-4-5-9(2)8-11-7-6-10/h3-5H,1-2,6-8,10H2/b5-4-
InChIKeyZKNSFFCVERRHPN-PLNGDYQASA-N
MW153.22 g/mol
LogP1.26
Rot. Bonds6

About 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine

2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine (PubChem CID 143097696) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine.

Molecular Properties

Compound Name2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine
PubChem CID143097696
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine
SMILESC=C/C=C\C(=C)COCCN
InChIInChI=1S/C9H15NO/c1-3-4-5-9(2)8-11-7-6-10/h3-5H,1-2,6-8,10H2/b5-4-
InChIKeyZKNSFFCVERRHPN-PLNGDYQASA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine?
The IUPAC name of 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine (CID 143097696) is 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine.
What is the SMILES notation for 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine?
The canonical SMILES for 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine is C=C/C=C\C(=C)COCCN.
What is the InChIKey of 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine?
The InChIKey is ZKNSFFCVERRHPN-PLNGDYQASA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-9(2)8-11-7-6-10/h3-5H,1-2,6-8,10H2/b5-4-.
What are the key properties of 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine?
2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-2-methylidenehexa-3,5-dienoxy]ethanamine is sourced from PubChem (CID 143097696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).