N-(2,4-dimethylhexa-2,4-dienyl)methanimine

C9H15N — CID 123687156

IUPACN-(2,4-dimethylhexa-2,4-dienyl)methanimine
SMILESC=NCC(C)=CC(C)=CC
InChIInChI=1S/C9H15N/c1-5-8(2)6-9(3)7-10-4/h5-6H,4,7H2,1-3H3
InChIKeyZMPKHUAXPCIIOD-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds3

About N-(2,4-dimethylhexa-2,4-dienyl)methanimine

N-(2,4-dimethylhexa-2,4-dienyl)methanimine (PubChem CID 123687156) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(2,4-dimethylhexa-2,4-dienyl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylhexa-2,4-dienyl)methanimine
PubChem CID123687156
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(2,4-dimethylhexa-2,4-dienyl)methanimine
SMILESC=NCC(C)=CC(C)=CC
InChIInChI=1S/C9H15N/c1-5-8(2)6-9(3)7-10-4/h5-6H,4,7H2,1-3H3
InChIKeyZMPKHUAXPCIIOD-UHFFFAOYSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
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-(2,4-dimethylhexa-2,4-dienyl)methanimine?
The IUPAC name of N-(2,4-dimethylhexa-2,4-dienyl)methanimine (CID 123687156) is N-(2,4-dimethylhexa-2,4-dienyl)methanimine.
What is the SMILES notation for N-(2,4-dimethylhexa-2,4-dienyl)methanimine?
The canonical SMILES for N-(2,4-dimethylhexa-2,4-dienyl)methanimine is C=NCC(C)=CC(C)=CC.
What is the InChIKey of N-(2,4-dimethylhexa-2,4-dienyl)methanimine?
The InChIKey is ZMPKHUAXPCIIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-8(2)6-9(3)7-10-4/h5-6H,4,7H2,1-3H3.
What are the key properties of N-(2,4-dimethylhexa-2,4-dienyl)methanimine?
N-(2,4-dimethylhexa-2,4-dienyl)methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylhexa-2,4-dienyl)methanimine is sourced from PubChem (CID 123687156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).