(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine

C9H17NO — CID 134334067

IUPAC(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)NCCC)OC
InChIInChI=1S/C9H17NO/c1-5-6-10-8(2)7-9(3)11-4/h7,10H,3,5-6H2,1-2,4H3/b8-7+
InChIKeyXSIIYHSNNMQMDI-BQYQJAHWSA-N
MW155.24 g/mol
LogP2.05
Rot. Bonds5

About (2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine

(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine (PubChem CID 134334067) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine
PubChem CID134334067
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)NCCC)OC
InChIInChI=1S/C9H17NO/c1-5-6-10-8(2)7-9(3)11-4/h7,10H,3,5-6H2,1-2,4H3/b8-7+
InChIKeyXSIIYHSNNMQMDI-BQYQJAHWSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.05
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)-4-methoxy-N-propylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine (CID 134334067) is (2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine is C=C(/C=C(\C)NCCC)OC.
What is the InChIKey of (2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine?
The InChIKey is XSIIYHSNNMQMDI-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-10-8(2)7-9(3)11-4/h7,10H,3,5-6H2,1-2,4H3/b8-7+.
What are the key properties of (2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine?
(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine has a molecular weight of 155.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine is sourced from PubChem (CID 134334067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).