N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine

C8H13NO — CID 167253000

IUPACN-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C(/C)OC
InChIInChI=1S/C8H13NO/c1-7(9-3)5-6-8(2)10-4/h5-6H,3H2,1-2,4H3/b7-5-,8-6+
InChIKeySXZOYRMJAUMYCN-CGXWXWIYSA-N
MW139.20 g/mol
LogP2.14
Rot. Bonds3

About N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine (PubChem CID 167253000) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine
PubChem CID167253000
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C(/C)OC
InChIInChI=1S/C8H13NO/c1-7(9-3)5-6-8(2)10-4/h5-6H,3H2,1-2,4H3/b7-5-,8-6+
InChIKeySXZOYRMJAUMYCN-CGXWXWIYSA-N
XLogP2.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-1,3-oxazepine
CID 118454971
N-[(2Z,4E)-5-ethoxyhexa-2,4-dien-2-yl]methanimine
CID 121285018
N-(4-methoxyhexa-1,3,5-trien-2-yl)methanimine
CID 123500238
N-[(3E)-4-methoxypenta-1,3-dien-2-yl]ethanimine
CID 123550086
N-(4-methoxypenta-1,3-dien-2-yl)ethenimine
CID 123834633
N-(1-methoxy-4-methylpenta-1,3-dienyl)methanimine
CID 123937538
(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol
CID 126603203
N-[(1Z,3Z)-1-methoxyhexa-1,3,5-trienyl]methanimine
CID 141816799
N-[(1E)-1-methoxy-4-methylpenta-1,3-dienyl]methanimine
CID 143124542
N-[(3E)-4-methoxypenta-1,3-dien-2-yl]ethenimine
CID 144179419
N-[(2Z,4E)-5-propan-2-yloxyhexa-2,4-dien-2-yl]methanimine
CID 144342228
N-[(1E,3Z)-1-propan-2-yloxypenta-1,3-dienyl]methanimine
CID 146259584

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine (CID 167253000) is N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C=C(/C)OC.
What is the InChIKey of N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine?
The InChIKey is SXZOYRMJAUMYCN-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(9-3)5-6-8(2)10-4/h5-6H,3H2,1-2,4H3/b7-5-,8-6+.
What are the key properties of N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine has a molecular weight of 139.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 167253000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).