4-methylpenta-2,4-dienylideneazanium

C6H10N+ — CID 91576873

IUPAC4-methylpenta-2,4-dienylideneazanium
SMILESC=C(C)C=CC=[NH2+]
InChIInChI=1S/C6H9N/c1-6(2)4-3-5-7/h3-5,7H,1H2,2H3/p+1
InChIKeyGLQYGZMNMCEXTF-UHFFFAOYSA-O
MW96.15 g/mol
LogP-0.05
Rot. Bonds2

About 4-methylpenta-2,4-dienylideneazanium

4-methylpenta-2,4-dienylideneazanium (PubChem CID 91576873) has the molecular formula C6H10N+ and a molecular weight of 96.15 g/mol. Its IUPAC name is 4-methylpenta-2,4-dienylideneazanium.

Molecular Properties

Compound Name4-methylpenta-2,4-dienylideneazanium
PubChem CID91576873
Molecular FormulaC6H10N+
Molecular Weight96.15 g/mol
Exact Mass96.08
IUPAC Name4-methylpenta-2,4-dienylideneazanium
SMILESC=C(C)C=CC=[NH2+]
InChIInChI=1S/C6H9N/c1-6(2)4-3-5-7/h3-5,7H,1H2,2H3/p+1
InChIKeyGLQYGZMNMCEXTF-UHFFFAOYSA-O
XLogP-0.05
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 4-methylpenta-2,4-dienylideneazanium?
The IUPAC name of 4-methylpenta-2,4-dienylideneazanium (CID 91576873) is 4-methylpenta-2,4-dienylideneazanium.
What is the SMILES notation for 4-methylpenta-2,4-dienylideneazanium?
The canonical SMILES for 4-methylpenta-2,4-dienylideneazanium is C=C(C)C=CC=[NH2+].
What is the InChIKey of 4-methylpenta-2,4-dienylideneazanium?
The InChIKey is GLQYGZMNMCEXTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9N/c1-6(2)4-3-5-7/h3-5,7H,1H2,2H3/p+1.
What are the key properties of 4-methylpenta-2,4-dienylideneazanium?
4-methylpenta-2,4-dienylideneazanium has a molecular weight of 96.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-2,4-dienylideneazanium is sourced from PubChem (CID 91576873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).