(3E)-2-methoxypenta-1,3-dien-3-amine

C6H11NO — CID 89033342

IUPAC(3E)-2-methoxypenta-1,3-dien-3-amine
SMILESC=C(OC)/C(N)=C\C
InChIInChI=1S/C6H11NO/c1-4-6(7)5(2)8-3/h4H,2,7H2,1,3H3/b6-4+
InChIKeyMWLXIHJWZRCOSH-GQCTYLIASA-N
MW113.16 g/mol
LogP1.01
Rot. Bonds2

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

(3E)-2-methoxypenta-1,3-dien-3-amine (PubChem CID 89033342) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3E)-2-methoxypenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-methoxypenta-1,3-dien-3-amine
PubChem CID89033342
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3E)-2-methoxypenta-1,3-dien-3-amine
SMILESC=C(OC)/C(N)=C\C
InChIInChI=1S/C6H11NO/c1-4-6(7)5(2)8-3/h4H,2,7H2,1,3H3/b6-4+
InChIKeyMWLXIHJWZRCOSH-GQCTYLIASA-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 (3E)-2-methoxypenta-1,3-dien-3-amine?
The IUPAC name of (3E)-2-methoxypenta-1,3-dien-3-amine (CID 89033342) is (3E)-2-methoxypenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-2-methoxypenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-2-methoxypenta-1,3-dien-3-amine is C=C(OC)/C(N)=C\C.
What is the InChIKey of (3E)-2-methoxypenta-1,3-dien-3-amine?
The InChIKey is MWLXIHJWZRCOSH-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(7)5(2)8-3/h4H,2,7H2,1,3H3/b6-4+.
What are the key properties of (3E)-2-methoxypenta-1,3-dien-3-amine?
(3E)-2-methoxypenta-1,3-dien-3-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 (3E)-2-methoxypenta-1,3-dien-3-amine is sourced from PubChem (CID 89033342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).