[4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium

C22H35N2+ — CID 59952370

IUPAC[4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium
SMILESCNC=CC=C(C)C(C)=C(C)C(C)=C(C)C(C)=C(C)C=C/C=[NH+]/C
InChIInChI=1S/C22H34N2/c1-16(12-10-14-23-8)18(3)20(5)22(7)21(6)19(4)17(2)13-11-15-24-9/h10-15,23H,1-9H3/p+1/b13-11?,14-10?,16-12?,19-17?,20-18?,22-21?,24-15+
InChIKeyGSYREMLDTANIEU-FEBJHASOSA-O
MW327.54 g/mol
LogP4.01
Rot. Bonds7

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

[4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium (PubChem CID 59952370) has the molecular formula C22H35N2+ and a molecular weight of 327.54 g/mol. Its IUPAC name is [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium.

Molecular Properties

Compound Name[4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium
PubChem CID59952370
Molecular FormulaC22H35N2+
Molecular Weight327.54 g/mol
Exact Mass327.28
IUPAC Name[4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium
SMILESCNC=CC=C(C)C(C)=C(C)C(C)=C(C)C(C)=C(C)C=C/C=[NH+]/C
InChIInChI=1S/C22H34N2/c1-16(12-10-14-23-8)18(3)20(5)22(7)21(6)19(4)17(2)13-11-15-24-9/h10-15,23H,1-9H3/p+1/b13-11?,14-10?,16-12?,19-17?,20-18?,22-21?,24-15+
InChIKeyGSYREMLDTANIEU-FEBJHASOSA-O
XLogP4.01
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.01
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'}

Analyze [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium with MolForge

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

Launch Full Analysis

Related Compounds

(1E,3E)-2-(difluoromethyl)-N-ethenyl-3-fluoro-5-methyliminopenta-1,3-dien-1-amine
CID 137532682
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
[(2Z,4Z)-3,4-bis[(E)-2-(dimethylamino)ethenyl]-6-dimethylazaniumylidenehexa-2,4-dienylidene]-dimethylazanium
CID 57679311
Methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium
CID 59917211
Methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
CID 59929322
Methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59929349
Methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59937465
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 59937466
Methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59952362
N-methyl-6-methyliminohexa-1,3-dien-1-amine
CID 59959497

Frequently Asked Questions

What is the IUPAC name of [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium?
The IUPAC name of [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium (CID 59952370) is [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium.
What is the SMILES notation for [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium?
The canonical SMILES for [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium is CNC=CC=C(C)C(C)=C(C)C(C)=C(C)C(C)=C(C)C=C/C=[NH+]/C.
What is the InChIKey of [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium?
The InChIKey is GSYREMLDTANIEU-FEBJHASOSA-O. The full InChI is InChI=1S/C22H34N2/c1-16(12-10-14-23-8)18(3)20(5)22(7)21(6)19(4)17(2)13-11-15-24-9/h10-15,23H,1-9H3/p+1/b13-11?,14-10?,16-12?,19-17?,20-18?,22-21?,24-15+.
What are the key properties of [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium?
[4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium has a molecular weight of 327.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5,6,7,8,9,10-heptamethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]-methylazanium is sourced from PubChem (CID 59952370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).