methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium

C8H14N+ — CID 143321971

IUPACmethyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium
SMILESC=CC(C)/C=C\C=[NH+]\C
InChIInChI=1S/C8H13N/c1-4-8(2)6-5-7-9-3/h4-8H,1H2,2-3H3/p+1/b6-5-,9-7+
InChIKeyUFULDSQIMCOMBY-BZWSEGBZSA-O
MW124.21 g/mol
LogP0.15
Rot. Bonds3

About methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium

methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium (PubChem CID 143321971) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium.

Molecular Properties

Compound Namemethyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium
PubChem CID143321971
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Namemethyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium
SMILESC=CC(C)/C=C\C=[NH+]\C
InChIInChI=1S/C8H13N/c1-4-8(2)6-5-7-9-3/h4-8H,1H2,2-3H3/p+1/b6-5-,9-7+
InChIKeyUFULDSQIMCOMBY-BZWSEGBZSA-O
XLogP0.15
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium?
The IUPAC name of methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium (CID 143321971) is methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium.
What is the SMILES notation for methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium?
The canonical SMILES for methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium is C=CC(C)/C=C\C=[NH+]\C.
What is the InChIKey of methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium?
The InChIKey is UFULDSQIMCOMBY-BZWSEGBZSA-O. The full InChI is InChI=1S/C8H13N/c1-4-8(2)6-5-7-9-3/h4-8H,1H2,2-3H3/p+1/b6-5-,9-7+.
What are the key properties of methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium?
methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium has a molecular weight of 124.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium is sourced from PubChem (CID 143321971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).