(3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine

C8H15NO — CID 139356872

IUPAC(3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine
SMILESC=C(/C=C(\C)OC)NCC
InChIInChI=1S/C8H15NO/c1-5-9-7(2)6-8(3)10-4/h6,9H,2,5H2,1,3-4H3/b8-6+
InChIKeyFSFOZKJTJOGNCR-SOFGYWHQSA-N
MW141.21 g/mol
LogP1.66
Rot. Bonds4

About (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine

(3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine (PubChem CID 139356872) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine
PubChem CID139356872
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine
SMILESC=C(/C=C(\C)OC)NCC
InChIInChI=1S/C8H15NO/c1-5-9-7(2)6-8(3)10-4/h6,9H,2,5H2,1,3-4H3/b8-6+
InChIKeyFSFOZKJTJOGNCR-SOFGYWHQSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.66
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 (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine (CID 139356872) is (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine is C=C(/C=C(\C)OC)NCC.
What is the InChIKey of (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine?
The InChIKey is FSFOZKJTJOGNCR-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-9-7(2)6-8(3)10-4/h6,9H,2,5H2,1,3-4H3/b8-6+.
What are the key properties of (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine?
(3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-4-methoxypenta-1,3-dien-2-amine is sourced from PubChem (CID 139356872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).