N-[(1Z,3E)-hexa-1,3-dienyl]methanimine

C7H11N — CID 88963303

IUPACN-[(1Z,3E)-hexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C\CC
InChIInChI=1S/C7H11N/c1-3-4-5-6-7-8-2/h4-7H,2-3H2,1H3/b5-4+,7-6-
InChIKeyNQIHQPUOIIOPBL-DEQVHDEQSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds3

About N-[(1Z,3E)-hexa-1,3-dienyl]methanimine

N-[(1Z,3E)-hexa-1,3-dienyl]methanimine (PubChem CID 88963303) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-[(1Z,3E)-hexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-hexa-1,3-dienyl]methanimine
PubChem CID88963303
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-[(1Z,3E)-hexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C\CC
InChIInChI=1S/C7H11N/c1-3-4-5-6-7-8-2/h4-7H,2-3H2,1H3/b5-4+,7-6-
InChIKeyNQIHQPUOIIOPBL-DEQVHDEQSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(1Z,3E)-hexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-hexa-1,3-dienyl]methanimine (CID 88963303) is N-[(1Z,3E)-hexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-hexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-hexa-1,3-dienyl]methanimine is C=N/C=C\C=C\CC.
What is the InChIKey of N-[(1Z,3E)-hexa-1,3-dienyl]methanimine?
The InChIKey is NQIHQPUOIIOPBL-DEQVHDEQSA-N. The full InChI is InChI=1S/C7H11N/c1-3-4-5-6-7-8-2/h4-7H,2-3H2,1H3/b5-4+,7-6-.
What are the key properties of N-[(1Z,3E)-hexa-1,3-dienyl]methanimine?
N-[(1Z,3E)-hexa-1,3-dienyl]methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-hexa-1,3-dienyl]methanimine is sourced from PubChem (CID 88963303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).