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

C16H25N2+ — CID 59929349

IUPACmethyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
SMILESCNC=CC=CC(C)=C(C)C(C)=CC=C/C=[NH+]/C
InChIInChI=1S/C16H24N2/c1-14(10-6-8-12-17-4)16(3)15(2)11-7-9-13-18-5/h6-13,17H,1-5H3/p+1/b9-7?,10-6?,12-8?,15-11?,16-14?,18-13+
InChIKeyZYQBKKBTFDLFJK-IBXVOGMMSA-O
MW245.39 g/mol
LogP1.90
Rot. Bonds6

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

methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium (PubChem CID 59929349) has the molecular formula C16H25N2+ and a molecular weight of 245.39 g/mol. Its IUPAC name is methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium.

Molecular Properties

Compound Namemethyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
PubChem CID59929349
Molecular FormulaC16H25N2+
Molecular Weight245.39 g/mol
Exact Mass245.20
IUPAC Namemethyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
SMILESCNC=CC=CC(C)=C(C)C(C)=CC=C/C=[NH+]/C
InChIInChI=1S/C16H24N2/c1-14(10-6-8-12-17-4)16(3)15(2)11-7-9-13-18-5/h6-13,17H,1-5H3/p+1/b9-7?,10-6?,12-8?,15-11?,16-14?,18-13+
InChIKeyZYQBKKBTFDLFJK-IBXVOGMMSA-O
XLogP1.90
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.90
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-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
The IUPAC name of methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium (CID 59929349) is methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium.
What is the SMILES notation for methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
The canonical SMILES for methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium is CNC=CC=CC(C)=C(C)C(C)=CC=C/C=[NH+]/C.
What is the InChIKey of methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
The InChIKey is ZYQBKKBTFDLFJK-IBXVOGMMSA-O. The full InChI is InChI=1S/C16H24N2/c1-14(10-6-8-12-17-4)16(3)15(2)11-7-9-13-18-5/h6-13,17H,1-5H3/p+1/b9-7?,10-6?,12-8?,15-11?,16-14?,18-13+.
What are the key properties of methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium has a molecular weight of 245.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium is sourced from PubChem (CID 59929349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).