(2E)-2-methoxypenta-2,4-dien-1-amine

C6H11NO — CID 121481030

IUPAC(2E)-2-methoxypenta-2,4-dien-1-amine
SMILESC=C/C=C(\CN)OC
InChIInChI=1S/C6H11NO/c1-3-4-6(5-7)8-2/h3-4H,1,5,7H2,2H3/b6-4+
InChIKeyNYEULMGUYNVZJR-GQCTYLIASA-N
MW113.16 g/mol
LogP0.66
Rot. Bonds3

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

(2E)-2-methoxypenta-2,4-dien-1-amine (PubChem CID 121481030) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2E)-2-methoxypenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-methoxypenta-2,4-dien-1-amine
PubChem CID121481030
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2E)-2-methoxypenta-2,4-dien-1-amine
SMILESC=C/C=C(\CN)OC
InChIInChI=1S/C6H11NO/c1-3-4-6(5-7)8-2/h3-4H,1,5,7H2,2H3/b6-4+
InChIKeyNYEULMGUYNVZJR-GQCTYLIASA-N
XLogP0.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.66
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 (2E)-2-methoxypenta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-methoxypenta-2,4-dien-1-amine (CID 121481030) is (2E)-2-methoxypenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-methoxypenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-methoxypenta-2,4-dien-1-amine is C=C/C=C(\CN)OC.
What is the InChIKey of (2E)-2-methoxypenta-2,4-dien-1-amine?
The InChIKey is NYEULMGUYNVZJR-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-6(5-7)8-2/h3-4H,1,5,7H2,2H3/b6-4+.
What are the key properties of (2E)-2-methoxypenta-2,4-dien-1-amine?
(2E)-2-methoxypenta-2,4-dien-1-amine has a molecular weight of 113.16 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxypenta-2,4-dien-1-amine is sourced from PubChem (CID 121481030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).