2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine

C9H15NO — CID 167017782

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
SMILESC=C/C(=C\C=C/C)OCCN
InChIInChI=1S/C9H15NO/c1-3-5-6-9(4-2)11-8-7-10/h3-6H,2,7-8,10H2,1H3/b5-3-,9-6+
InChIKeyQCMJRMVCLOPYIS-PAEKIZANSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds5

About 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine

2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine (PubChem CID 167017782) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
PubChem CID167017782
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
SMILESC=C/C(=C\C=C/C)OCCN
InChIInChI=1S/C9H15NO/c1-3-5-6-9(4-2)11-8-7-10/h3-6H,2,7-8,10H2,1H3/b5-3-,9-6+
InChIKeyQCMJRMVCLOPYIS-PAEKIZANSA-N
XLogP1.61
TPSA35.25 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 ≤ 51.61
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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Related Compounds

2-[(2Z,4Z,6Z)-2,7-difluoro-6-propoxyocta-2,4,6-trien-3-yl]oxyethanamine
CID 131994449
2-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
CID 178011507
2H-pyran-6-ylmethanamine
CID 53884134
2-Buta-1,3-dien-2-yloxyethanamine
CID 88972337
(2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine
CID 89319215
(2E,4Z)-3-methoxyhepta-2,4,6-trien-1-amine
CID 118033420
2-(5-Methoxyhexa-2,4-dien-2-yloxy)ethanamine
CID 123367980
N-methyl-2-penta-2,4-dien-2-yloxyethanamine
CID 123747746
(2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine
CID 126703032
2-[(3Z)-penta-1,3-dien-2-yl]oxyethanamine
CID 126759240
(2E,4E)-5-methoxyhepta-2,4,6-trien-1-amine
CID 129210142
(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine
CID 129237747

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine (CID 167017782) is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine is C=C/C(=C\C=C/C)OCCN.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine?
The InChIKey is QCMJRMVCLOPYIS-PAEKIZANSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-6-9(4-2)11-8-7-10/h3-6H,2,7-8,10H2,1H3/b5-3-,9-6+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine?
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine is sourced from PubChem (CID 167017782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).