N-penta-1,4-dienylmethanimine

C6H9N — CID 91199996

IUPACN-penta-1,4-dienylmethanimine
SMILESC=CCC=CN=C
InChIInChI=1S/C6H9N/c1-3-4-5-6-7-2/h3,5-6H,1-2,4H2
InChIKeyLBBFRBUXUMCDIZ-UHFFFAOYSA-N
MW95.15 g/mol
LogP1.78
Rot. Bonds3

About N-penta-1,4-dienylmethanimine

N-penta-1,4-dienylmethanimine (PubChem CID 91199996) has the molecular formula C6H9N and a molecular weight of 95.15 g/mol. Its IUPAC name is N-penta-1,4-dienylmethanimine.

Molecular Properties

Compound NameN-penta-1,4-dienylmethanimine
PubChem CID91199996
Molecular FormulaC6H9N
Molecular Weight95.15 g/mol
Exact Mass95.07
IUPAC NameN-penta-1,4-dienylmethanimine
SMILESC=CCC=CN=C
InChIInChI=1S/C6H9N/c1-3-4-5-6-7-2/h3,5-6H,1-2,4H2
InChIKeyLBBFRBUXUMCDIZ-UHFFFAOYSA-N
XLogP1.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.15
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-penta-1,4-dienylmethanimine?
The IUPAC name of N-penta-1,4-dienylmethanimine (CID 91199996) is N-penta-1,4-dienylmethanimine.
What is the SMILES notation for N-penta-1,4-dienylmethanimine?
The canonical SMILES for N-penta-1,4-dienylmethanimine is C=CCC=CN=C.
What is the InChIKey of N-penta-1,4-dienylmethanimine?
The InChIKey is LBBFRBUXUMCDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-3-4-5-6-7-2/h3,5-6H,1-2,4H2.
What are the key properties of N-penta-1,4-dienylmethanimine?
N-penta-1,4-dienylmethanimine has a molecular weight of 95.15 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-1,4-dienylmethanimine is sourced from PubChem (CID 91199996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).