methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium

C14H23N2+ — CID 59962921

IUPACmethyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
SMILESCNC=C(C)C=CC(C)=CC=C(C)/C=[NH+]/C
InChIInChI=1S/C14H22N2/c1-12(6-8-13(2)10-15-4)7-9-14(3)11-16-5/h6-11,15H,1-5H3/p+1/b8-6?,12-7?,13-10?,14-9?,16-11+
InChIKeyXGBQNOVQAFCQBY-XZZHOPSVSA-O
MW219.35 g/mol
LogP1.34
Rot. Bonds5

About methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium

methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium (PubChem CID 59962921) has the molecular formula C14H23N2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium.

Molecular Properties

Compound Namemethyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
PubChem CID59962921
Molecular FormulaC14H23N2+
Molecular Weight219.35 g/mol
Exact Mass219.19
IUPAC Namemethyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
SMILESCNC=C(C)C=CC(C)=CC=C(C)/C=[NH+]/C
InChIInChI=1S/C14H22N2/c1-12(6-8-13(2)10-15-4)7-9-14(3)11-16-5/h6-11,15H,1-5H3/p+1/b8-6?,12-7?,13-10?,14-9?,16-11+
InChIKeyXGBQNOVQAFCQBY-XZZHOPSVSA-O
XLogP1.34
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
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-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
The IUPAC name of methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium (CID 59962921) is methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium.
What is the SMILES notation for methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
The canonical SMILES for methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium is CNC=C(C)C=CC(C)=CC=C(C)/C=[NH+]/C.
What is the InChIKey of methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
The InChIKey is XGBQNOVQAFCQBY-XZZHOPSVSA-O. The full InChI is InChI=1S/C14H22N2/c1-12(6-8-13(2)10-15-4)7-9-14(3)11-16-5/h6-11,15H,1-5H3/p+1/b8-6?,12-7?,13-10?,14-9?,16-11+.
What are the key properties of methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium has a molecular weight of 219.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium is sourced from PubChem (CID 59962921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).