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

C8H13NO — CID 147724783

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

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

N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine (PubChem CID 147724783) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine
PubChem CID147724783
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C\C)OC
InChIInChI=1S/C8H13NO/c1-5-8(10-4)6-7(2)9-3/h5-6H,3H2,1-2,4H3/b7-6-,8-5-
InChIKeyGXGUKOOKVYWMFK-HSHIGALWSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine (CID 147724783) is N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C(=C\C)OC.
What is the InChIKey of N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine?
The InChIKey is GXGUKOOKVYWMFK-HSHIGALWSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-8(10-4)6-7(2)9-3/h5-6H,3H2,1-2,4H3/b7-6-,8-5-.
What are the key properties of N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4Z)-4-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,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 147724783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).