(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine

C10H17NO — CID 129144493

IUPAC(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine
SMILESC=C/C=C(\C=C(/C)NCC)OC
InChIInChI=1S/C10H17NO/c1-5-7-10(12-4)8-9(3)11-6-2/h5,7-8,11H,1,6H2,2-4H3/b9-8+,10-7+
InChIKeyXPZDLMVUCUIHIT-DGLUDJRXSA-N
MW167.25 g/mol
LogP2.22
Rot. Bonds5

About (2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine

(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine (PubChem CID 129144493) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine
PubChem CID129144493
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine
SMILESC=C/C=C(\C=C(/C)NCC)OC
InChIInChI=1S/C10H17NO/c1-5-7-10(12-4)8-9(3)11-6-2/h5,7-8,11H,1,6H2,2-4H3/b9-8+,10-7+
InChIKeyXPZDLMVUCUIHIT-DGLUDJRXSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.22
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,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine (CID 129144493) is (2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine is C=C/C=C(\C=C(/C)NCC)OC.
What is the InChIKey of (2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine?
The InChIKey is XPZDLMVUCUIHIT-DGLUDJRXSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7-10(12-4)8-9(3)11-6-2/h5,7-8,11H,1,6H2,2-4H3/b9-8+,10-7+.
What are the key properties of (2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine?
(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine has a molecular weight of 167.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 129144493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).