methyl-methylidene-nona-3,7-dien-3-ylazanium

C11H20N+ — CID 123909848

IUPACmethyl-methylidene-nona-3,7-dien-3-ylazanium
SMILESC=[N+](C)C(=CCCC=CC)CC
InChIInChI=1S/C11H20N/c1-5-7-8-9-10-11(6-2)12(3)4/h5,7,10H,3,6,8-9H2,1-2,4H3/q+1
InChIKeyMURIXBSSBIVJGN-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.98
Rot. Bonds5

About methyl-methylidene-nona-3,7-dien-3-ylazanium

methyl-methylidene-nona-3,7-dien-3-ylazanium (PubChem CID 123909848) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is methyl-methylidene-nona-3,7-dien-3-ylazanium.

Molecular Properties

Compound Namemethyl-methylidene-nona-3,7-dien-3-ylazanium
PubChem CID123909848
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Namemethyl-methylidene-nona-3,7-dien-3-ylazanium
SMILESC=[N+](C)C(=CCCC=CC)CC
InChIInChI=1S/C11H20N/c1-5-7-8-9-10-11(6-2)12(3)4/h5,7,10H,3,6,8-9H2,1-2,4H3/q+1
InChIKeyMURIXBSSBIVJGN-UHFFFAOYSA-N
XLogP2.98
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-nona-3,7-dien-3-ylazanium?
The IUPAC name of methyl-methylidene-nona-3,7-dien-3-ylazanium (CID 123909848) is methyl-methylidene-nona-3,7-dien-3-ylazanium.
What is the SMILES notation for methyl-methylidene-nona-3,7-dien-3-ylazanium?
The canonical SMILES for methyl-methylidene-nona-3,7-dien-3-ylazanium is C=[N+](C)C(=CCCC=CC)CC.
What is the InChIKey of methyl-methylidene-nona-3,7-dien-3-ylazanium?
The InChIKey is MURIXBSSBIVJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-5-7-8-9-10-11(6-2)12(3)4/h5,7,10H,3,6,8-9H2,1-2,4H3/q+1.
What are the key properties of methyl-methylidene-nona-3,7-dien-3-ylazanium?
methyl-methylidene-nona-3,7-dien-3-ylazanium has a molecular weight of 166.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-nona-3,7-dien-3-ylazanium is sourced from PubChem (CID 123909848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).