methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium

C14H18N+ — CID 139483932

IUPACmethyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium
SMILESC=C/C=C\C=C(C(=C)C=C)\[N+](C)=C\C=C
InChIInChI=1S/C14H18N/c1-6-9-10-11-14(13(4)8-3)15(5)12-7-2/h6-12H,1-4H2,5H3/q+1/b10-9-,14-11+,15-12+
InChIKeyMFALHHHVBAENHA-FDHFOKMUSA-N
MW200.30 g/mol
LogP3.25
Rot. Bonds6

About methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium

methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium (PubChem CID 139483932) has the molecular formula C14H18N+ and a molecular weight of 200.30 g/mol. Its IUPAC name is methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium.

Molecular Properties

Compound Namemethyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium
PubChem CID139483932
Molecular FormulaC14H18N+
Molecular Weight200.30 g/mol
Exact Mass200.14
IUPAC Namemethyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium
SMILESC=C/C=C\C=C(C(=C)C=C)\[N+](C)=C\C=C
InChIInChI=1S/C14H18N/c1-6-9-10-11-14(13(4)8-3)15(5)12-7-2/h6-12H,1-4H2,5H3/q+1/b10-9-,14-11+,15-12+
InChIKeyMFALHHHVBAENHA-FDHFOKMUSA-N
XLogP3.25
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium?
The IUPAC name of methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium (CID 139483932) is methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium.
What is the SMILES notation for methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium?
The canonical SMILES for methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium is C=C/C=C\C=C(C(=C)C=C)\[N+](C)=C\C=C.
What is the InChIKey of methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium?
The InChIKey is MFALHHHVBAENHA-FDHFOKMUSA-N. The full InChI is InChI=1S/C14H18N/c1-6-9-10-11-14(13(4)8-3)15(5)12-7-2/h6-12H,1-4H2,5H3/q+1/b10-9-,14-11+,15-12+.
What are the key properties of methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium?
methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium has a molecular weight of 200.30 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(4E,6Z)-3-methylidenenona-1,4,6,8-tetraen-4-yl]-prop-2-enylideneazanium is sourced from PubChem (CID 139483932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).