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

C6H11NO — CID 154964191

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

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

(3E)-3-methoxypenta-1,3-dien-2-amine (PubChem CID 154964191) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3E)-3-methoxypenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-methoxypenta-1,3-dien-2-amine
PubChem CID154964191
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3E)-3-methoxypenta-1,3-dien-2-amine
SMILESC=C(N)/C(=C\C)OC
InChIInChI=1S/C6H11NO/c1-4-6(8-3)5(2)7/h4H,2,7H2,1,3H3/b6-4+
InChIKeyXMXMFPPHZNUUMH-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)-3-methoxypenta-1,3-dien-2-amine?
The IUPAC name of (3E)-3-methoxypenta-1,3-dien-2-amine (CID 154964191) is (3E)-3-methoxypenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-methoxypenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-methoxypenta-1,3-dien-2-amine is C=C(N)/C(=C\C)OC.
What is the InChIKey of (3E)-3-methoxypenta-1,3-dien-2-amine?
The InChIKey is XMXMFPPHZNUUMH-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(8-3)5(2)7/h4H,2,7H2,1,3H3/b6-4+.
What are the key properties of (3E)-3-methoxypenta-1,3-dien-2-amine?
(3E)-3-methoxypenta-1,3-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 (3E)-3-methoxypenta-1,3-dien-2-amine is sourced from PubChem (CID 154964191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).