methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium

C18H29N2+ — CID 59952362

IUPACmethyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
SMILESCNC=CC=C(C)C(C)=C(C)C(C)=C(C)C=C/C=[NH+]/C
InChIInChI=1S/C18H28N2/c1-14(10-8-12-19-6)16(3)18(5)17(4)15(2)11-9-13-20-7/h8-13,19H,1-7H3/p+1/b11-9?,12-8?,14-10?,17-15?,18-16?,20-13+
InChIKeyFQXYABKOBFFLTN-BHUZQEPYSA-O
MW273.44 g/mol
LogP2.68
Rot. Bonds6

About methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium

methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium (PubChem CID 59952362) has the molecular formula C18H29N2+ and a molecular weight of 273.44 g/mol. Its IUPAC name is methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium.

Molecular Properties

Compound Namemethyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
PubChem CID59952362
Molecular FormulaC18H29N2+
Molecular Weight273.44 g/mol
Exact Mass273.23
IUPAC Namemethyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
SMILESCNC=CC=C(C)C(C)=C(C)C(C)=C(C)C=C/C=[NH+]/C
InChIInChI=1S/C18H28N2/c1-14(10-8-12-19-6)16(3)18(5)17(4)15(2)11-9-13-20-7/h8-13,19H,1-7H3/p+1/b11-9?,12-8?,14-10?,17-15?,18-16?,20-13+
InChIKeyFQXYABKOBFFLTN-BHUZQEPYSA-O
XLogP2.68
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.68
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 methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium with MolForge

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Related Compounds

Pyrido[3,2-c]azepine
CID 129706333
(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
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
Methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 54285233
methyl-[(2E,4E,6E,8E)-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 54465327
Methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 54465329
N-methyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 54465330
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
[(2E,4Z,6E,8E)-9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 59109574
Methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium
CID 59917211

Frequently Asked Questions

What is the IUPAC name of methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
The IUPAC name of methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium (CID 59952362) is methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium.
What is the SMILES notation for methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
The canonical SMILES for methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium is CNC=CC=C(C)C(C)=C(C)C(C)=C(C)C=C/C=[NH+]/C.
What is the InChIKey of methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
The InChIKey is FQXYABKOBFFLTN-BHUZQEPYSA-O. The full InChI is InChI=1S/C18H28N2/c1-14(10-8-12-19-6)16(3)18(5)17(4)15(2)11-9-13-20-7/h8-13,19H,1-7H3/p+1/b11-9?,12-8?,14-10?,17-15?,18-16?,20-13+.
What are the key properties of methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium has a molecular weight of 273.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium is sourced from PubChem (CID 59952362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).