(1Z,3Z)-5-methoxypenta-1,3-dien-1-amine

C6H11NO — CID 88935764

IUPAC(1Z,3Z)-5-methoxypenta-1,3-dien-1-amine
SMILESCOC/C=C\C=C/N
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7/h2-5H,6-7H2,1H3/b4-2-,5-3-
InChIKeyBUFDYCJUDZKXMF-JVLMNHKTSA-N
MW113.16 g/mol
LogP0.66
Rot. Bonds3

About (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine

(1Z,3Z)-5-methoxypenta-1,3-dien-1-amine (PubChem CID 88935764) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-methoxypenta-1,3-dien-1-amine
PubChem CID88935764
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1Z,3Z)-5-methoxypenta-1,3-dien-1-amine
SMILESCOC/C=C\C=C/N
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7/h2-5H,6-7H2,1H3/b4-2-,5-3-
InChIKeyBUFDYCJUDZKXMF-JVLMNHKTSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine (CID 88935764) is (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine is COC/C=C\C=C/N.
What is the InChIKey of (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine?
The InChIKey is BUFDYCJUDZKXMF-JVLMNHKTSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-4-2-3-5-7/h2-5H,6-7H2,1H3/b4-2-,5-3-.
What are the key properties of (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine?
(1Z,3Z)-5-methoxypenta-1,3-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 (1Z,3Z)-5-methoxypenta-1,3-dien-1-amine is sourced from PubChem (CID 88935764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).