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

C9H15N2+ — CID 59951537

IUPACmethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium
SMILESCNC=CC=CC=C/C=[NH+]/C
InChIInChI=1S/C9H14N2/c1-10-8-6-4-3-5-7-9-11-2/h3-10H,1-2H3/p+1/b4-3?,7-5?,8-6?,11-9+
InChIKeyNUIOQSHEERZWBH-IGNAYHRHSA-O
MW151.23 g/mol
LogP-0.39
Rot. Bonds4

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

methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium (PubChem CID 59951537) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium.

Molecular Properties

Compound Namemethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium
PubChem CID59951537
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Namemethyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium
SMILESCNC=CC=CC=C/C=[NH+]/C
InChIInChI=1S/C9H14N2/c1-10-8-6-4-3-5-7-9-11-2/h3-10H,1-2H3/p+1/b4-3?,7-5?,8-6?,11-9+
InChIKeyNUIOQSHEERZWBH-IGNAYHRHSA-O
XLogP-0.39
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium?
The IUPAC name of methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium (CID 59951537) is methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium.
What is the SMILES notation for methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium?
The canonical SMILES for methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium is CNC=CC=CC=C/C=[NH+]/C.
What is the InChIKey of methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium?
The InChIKey is NUIOQSHEERZWBH-IGNAYHRHSA-O. The full InChI is InChI=1S/C9H14N2/c1-10-8-6-4-3-5-7-9-11-2/h3-10H,1-2H3/p+1/b4-3?,7-5?,8-6?,11-9+.
What are the key properties of methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium?
methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium has a molecular weight of 151.23 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[7-(methylamino)hepta-2,4,6-trienylidene]azanium is sourced from PubChem (CID 59951537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).