(1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine

C8H13NO — CID 89020336

IUPAC(1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C=C/N)COC
InChIInChI=1S/C8H13NO/c1-8(7-10-2)5-3-4-6-9/h3-6H,1,7,9H2,2H3/b5-3-,6-4-
InChIKeyRBHZYWULKPUTEJ-GLIMQPGKSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds4

About (1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine

(1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine (PubChem CID 89020336) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
PubChem CID89020336
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C=C/N)COC
InChIInChI=1S/C8H13NO/c1-8(7-10-2)5-3-4-6-9/h3-6H,1,7,9H2,2H3/b5-3-,6-4-
InChIKeyRBHZYWULKPUTEJ-GLIMQPGKSA-N
XLogP1.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
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-(methoxymethyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine (CID 89020336) is (1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine is C=C(/C=C\C=C/N)COC.
What is the InChIKey of (1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine?
The InChIKey is RBHZYWULKPUTEJ-GLIMQPGKSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(7-10-2)5-3-4-6-9/h3-6H,1,7,9H2,2H3/b5-3-,6-4-.
What are the key properties of (1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89020336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).