dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium

C10H17N2+ — CID 54410989

IUPACdimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium
SMILESCNC=CC=CC=CC=[N+](C)C
InChIInChI=1S/C10H16N2/c1-11-9-7-5-4-6-8-10-12(2)3/h4-10H,1-3H3/p+1
InChIKeyVUDAAMJRDAFXEZ-UHFFFAOYSA-O
MW165.26 g/mol
LogP1.17
Rot. Bonds4

About dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium

dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium (PubChem CID 54410989) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium.

Molecular Properties

Compound Namedimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium
PubChem CID54410989
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Namedimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium
SMILESCNC=CC=CC=CC=[N+](C)C
InChIInChI=1S/C10H16N2/c1-11-9-7-5-4-6-8-10-12(2)3/h4-10H,1-3H3/p+1
InChIKeyVUDAAMJRDAFXEZ-UHFFFAOYSA-O
XLogP1.17
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium?
The IUPAC name of dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium (CID 54410989) is dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium.
What is the SMILES notation for dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium?
The canonical SMILES for dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium is CNC=CC=CC=CC=[N+](C)C.
What is the InChIKey of dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium?
The InChIKey is VUDAAMJRDAFXEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N2/c1-11-9-7-5-4-6-8-10-12(2)3/h4-10H,1-3H3/p+1.
What are the key properties of dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium?
dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium has a molecular weight of 165.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium is sourced from PubChem (CID 54410989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).