4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine

C33H41N2+ — CID 90739029

IUPAC4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCCCCCCCCCC[n+]1ccc(C=Cc2ccc(N(C)C)c3ccccc23)c2ccccc21
InChIInChI=1S/C33H41N2/c1-4-5-6-7-8-9-10-15-25-35-26-24-28(30-17-13-14-19-33(30)35)21-20-27-22-23-32(34(2)3)31-18-12-11-16-29(27)31/h11-14,16-24,26H,4-10,15,25H2,1-3H3/q+1
InChIKeyREMAAYOPGKTAHI-UHFFFAOYSA-N
MW465.71 g/mol
LogP8.66
Rot. Bonds12

About 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine

4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine (PubChem CID 90739029) has the molecular formula C33H41N2+ and a molecular weight of 465.71 g/mol. Its IUPAC name is 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine
PubChem CID90739029
Molecular FormulaC33H41N2+
Molecular Weight465.71 g/mol
Exact Mass465.33
IUPAC Name4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCCCCCCCCCC[n+]1ccc(C=Cc2ccc(N(C)C)c3ccccc23)c2ccccc21
InChIInChI=1S/C33H41N2/c1-4-5-6-7-8-9-10-15-25-35-26-24-28(30-17-13-14-19-33(30)35)21-20-27-22-23-32(34(2)3)31-18-12-11-16-29(27)31/h11-14,16-24,26H,4-10,15,25H2,1-3H3/q+1
InChIKeyREMAAYOPGKTAHI-UHFFFAOYSA-N
XLogP8.66
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine 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

1-decyl-4-[(E)-2-(1H-indol-3-yl)ethenyl]quinolin-1-ium
CID 53315732
4-[(E)-2-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine iodide
CID 67571245
N-butyl-4-[2-(1-octadecylquinolin-1-ium-4-yl)ethenyl]aniline
CID 67675699
N-methyl-4-[2-[1-(4-oxidooxysulfanylbutyl)quinolin-1-ium-4-yl]ethenyl]-N-pentylaniline
CID 59539908
4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine
CID 20673951
4-methyl-1-pentylquinolin-1-ium
CID 86110329
N-[(E)-2-(1-butylquinolin-1-ium-4-yl)ethenyl]aniline iodide
CID 6438008
4-[2-[1-[2-[2-[2-[2-[4-(dimethylamino)naphthalen-1-yl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-2-yl]ethenyl]-N,N-dimethylnaphthalen-1-amine
CID 76595650
N,N-dimethyl-4-[2-[1-(3-methylbutyl)quinolin-1-ium-4-yl]ethenyl]aniline
CID 76662141
CID 89320038
CID 89320038
3-[4-[[4-(dihexylamino)naphthalen-1-yl]diazenyl]quinolin-1-ium-1-yl]propyl-triethylazanium
CID 118983478
4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide
CID 51063224

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine (CID 90739029) is 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine is CCCCCCCCCC[n+]1ccc(C=Cc2ccc(N(C)C)c3ccccc23)c2ccccc21.
What is the InChIKey of 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine?
The InChIKey is REMAAYOPGKTAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N2/c1-4-5-6-7-8-9-10-15-25-35-26-24-28(30-17-13-14-19-33(30)35)21-20-27-22-23-32(34(2)3)31-18-12-11-16-29(27)31/h11-14,16-24,26H,4-10,15,25H2,1-3H3/q+1.
What are the key properties of 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine?
4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine has a molecular weight of 465.71 g/mol, XLogP of 8.66, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 90739029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).