2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine

C9H15NO — CID 143143858

IUPAC2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
SMILESC=C/C=C(\C=C)OCCNC
InChIInChI=1S/C9H15NO/c1-4-6-9(5-2)11-8-7-10-3/h4-6,10H,1-2,7-8H2,3H3/b9-6+
InChIKeyAIKDLFDURKCJEH-RMKNXTFCSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds6

About 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine

2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine (PubChem CID 143143858) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
PubChem CID143143858
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
SMILESC=C/C=C(\C=C)OCCNC
InChIInChI=1S/C9H15NO/c1-4-6-9(5-2)11-8-7-10-3/h4-6,10H,1-2,7-8H2,3H3/b9-6+
InChIKeyAIKDLFDURKCJEH-RMKNXTFCSA-N
XLogP1.48
TPSA21.26 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl[2-(prop-2-en-1-yloxy)ethyl]amine
CID 58684300
2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]-N-methylethanamine
CID 178010057
2-[(3Z)-4-chloro-2-fluorohexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
CID 153377787
N-fluoro-N-methyl-2-[(3E)-penta-1,3-dien-3-yl]oxyethanamine
CID 172599685
2-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
CID 178011507
2-buta-1,3-dien-2-yloxy-N-methylethanamine
CID 21937394
2-buta-1,3-dien-2-yloxy-N-(2-buta-1,3-dien-2-yloxyethyl)ethanamine
CID 57764963
2-[(E)-but-2-enoxy]-N-methylethanamine
CID 58684492
2-but-2-enoxy-N-methylethanamine
CID 72391128
3-Cyclohepta-1,3,4,6-tetraen-1-yloxyazetidine
CID 90780488
6-Methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine
CID 91166624
N-methyl-2-penta-2,4-dien-2-yloxyethanamine
CID 123747746

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine?
The IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine (CID 143143858) is 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine?
The canonical SMILES for 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine is C=C/C=C(\C=C)OCCNC.
What is the InChIKey of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine?
The InChIKey is AIKDLFDURKCJEH-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-9(5-2)11-8-7-10-3/h4-6,10H,1-2,7-8H2,3H3/b9-6+.
What are the key properties of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine?
2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine is sourced from PubChem (CID 143143858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).