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

C12H19N2+ — CID 59937465

IUPACmethyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
SMILESCNC=CC=CC(C)=CC=C/C=[NH+]/C
InChIInChI=1S/C12H18N2/c1-12(8-4-6-10-13-2)9-5-7-11-14-3/h4-11,13H,1-3H3/p+1/b7-5?,8-4?,10-6?,12-9?,14-11+
InChIKeyOVJYJKXCTNFGRK-LQFFSHQESA-O
MW191.30 g/mol
LogP0.56
Rot. Bonds5

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

methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium (PubChem CID 59937465) has the molecular formula C12H19N2+ and a molecular weight of 191.30 g/mol. Its IUPAC name is methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium.

Molecular Properties

Compound Namemethyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
PubChem CID59937465
Molecular FormulaC12H19N2+
Molecular Weight191.30 g/mol
Exact Mass191.15
IUPAC Namemethyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
SMILESCNC=CC=CC(C)=CC=C/C=[NH+]/C
InChIInChI=1S/C12H18N2/c1-12(8-4-6-10-13-2)9-5-7-11-14-3/h4-11,13H,1-3H3/p+1/b7-5?,8-4?,10-6?,12-9?,14-11+
InChIKeyOVJYJKXCTNFGRK-LQFFSHQESA-O
XLogP0.56
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
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-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
The IUPAC name of methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium (CID 59937465) is methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium.
What is the SMILES notation for methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
The canonical SMILES for methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium is CNC=CC=CC(C)=CC=C/C=[NH+]/C.
What is the InChIKey of methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
The InChIKey is OVJYJKXCTNFGRK-LQFFSHQESA-O. The full InChI is InChI=1S/C12H18N2/c1-12(8-4-6-10-13-2)9-5-7-11-14-3/h4-11,13H,1-3H3/p+1/b7-5?,8-4?,10-6?,12-9?,14-11+.
What are the key properties of methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium has a molecular weight of 191.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium is sourced from PubChem (CID 59937465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).