methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium

C19H29N2+ — CID 59929322

IUPACmethyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
SMILESCNC=CC=CC(C)=CC(C)=C(C)C(C)=CC=C/C=[NH+]/C
InChIInChI=1S/C19H28N2/c1-16(11-7-9-13-20-5)15-18(3)19(4)17(2)12-8-10-14-21-6/h7-15,20H,1-6H3/p+1/b10-8?,11-7?,13-9?,16-15?,17-12?,19-18?,21-14+
InChIKeyGJYJIUMTYRKJOW-DVRARELZSA-O
MW285.46 g/mol
LogP2.84
Rot. Bonds7

About methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium

methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium (PubChem CID 59929322) has the molecular formula C19H29N2+ and a molecular weight of 285.46 g/mol. Its IUPAC name is methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium.

Molecular Properties

Compound Namemethyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
PubChem CID59929322
Molecular FormulaC19H29N2+
Molecular Weight285.46 g/mol
Exact Mass285.23
IUPAC Namemethyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
SMILESCNC=CC=CC(C)=CC(C)=C(C)C(C)=CC=C/C=[NH+]/C
InChIInChI=1S/C19H28N2/c1-16(11-7-9-13-20-5)15-18(3)19(4)17(2)12-8-10-14-21-6/h7-15,20H,1-6H3/p+1/b10-8?,11-7?,13-9?,16-15?,17-12?,19-18?,21-14+
InChIKeyGJYJIUMTYRKJOW-DVRARELZSA-O
XLogP2.84
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.84
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-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium?
The IUPAC name of methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium (CID 59929322) is methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium.
What is the SMILES notation for methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium?
The canonical SMILES for methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium is CNC=CC=CC(C)=CC(C)=C(C)C(C)=CC=C/C=[NH+]/C.
What is the InChIKey of methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium?
The InChIKey is GJYJIUMTYRKJOW-DVRARELZSA-O. The full InChI is InChI=1S/C19H28N2/c1-16(11-7-9-13-20-5)15-18(3)19(4)17(2)12-8-10-14-21-6/h7-15,20H,1-6H3/p+1/b10-8?,11-7?,13-9?,16-15?,17-12?,19-18?,21-14+.
What are the key properties of methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium?
methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium has a molecular weight of 285.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium is sourced from PubChem (CID 59929322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).