(2E)-4-methoxypenta-2,4-dien-2-amine

C6H11NO — CID 88529526

IUPAC(2E)-4-methoxypenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)N)OC
InChIInChI=1S/C6H11NO/c1-5(7)4-6(2)8-3/h4H,2,7H2,1,3H3/b5-4+
InChIKeyLNFJEMPBFZGVEF-SNAWJCMRSA-N
MW113.16 g/mol
LogP1.01
Rot. Bonds2

About (2E)-4-methoxypenta-2,4-dien-2-amine

(2E)-4-methoxypenta-2,4-dien-2-amine (PubChem CID 88529526) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2E)-4-methoxypenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-4-methoxypenta-2,4-dien-2-amine
PubChem CID88529526
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2E)-4-methoxypenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)N)OC
InChIInChI=1S/C6H11NO/c1-5(7)4-6(2)8-3/h4H,2,7H2,1,3H3/b5-4+
InChIKeyLNFJEMPBFZGVEF-SNAWJCMRSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.01
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-methoxypenta-2,4-dien-2-amine?
The IUPAC name of (2E)-4-methoxypenta-2,4-dien-2-amine (CID 88529526) is (2E)-4-methoxypenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-4-methoxypenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-4-methoxypenta-2,4-dien-2-amine is C=C(/C=C(\C)N)OC.
What is the InChIKey of (2E)-4-methoxypenta-2,4-dien-2-amine?
The InChIKey is LNFJEMPBFZGVEF-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(7)4-6(2)8-3/h4H,2,7H2,1,3H3/b5-4+.
What are the key properties of (2E)-4-methoxypenta-2,4-dien-2-amine?
(2E)-4-methoxypenta-2,4-dien-2-amine has a molecular weight of 113.16 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methoxypenta-2,4-dien-2-amine is sourced from PubChem (CID 88529526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).