N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine

C20H23N2+ — CID 59931788

IUPACN,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine
SMILESCNC=CC=CC=C(C)C=Cc1cc[n+](C)c2ccccc12
InChIInChI=1S/C20H22N2/c1-17(9-5-4-8-15-21-2)12-13-18-14-16-22(3)20-11-7-6-10-19(18)20/h4-16H,1-3H3/p+1
InChIKeyREZAWNLHBOQPHW-UHFFFAOYSA-O
MW291.42 g/mol
LogP3.91
Rot. Bonds5

About N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine

N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine (PubChem CID 59931788) has the molecular formula C20H23N2+ and a molecular weight of 291.42 g/mol. Its IUPAC name is N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound NameN,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine
PubChem CID59931788
Molecular FormulaC20H23N2+
Molecular Weight291.42 g/mol
Exact Mass291.19
IUPAC NameN,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine
SMILESCNC=CC=CC=C(C)C=Cc1cc[n+](C)c2ccccc12
InChIInChI=1S/C20H22N2/c1-17(9-5-4-8-15-21-2)12-13-18-14-16-22(3)20-11-7-6-10-19(18)20/h4-16H,1-3H3/p+1
InChIKeyREZAWNLHBOQPHW-UHFFFAOYSA-O
XLogP3.91
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]benzene-1,2-diol iodide
CID 54610208
4-[1-[4-(dimethylamino)phenyl]-4-(1-methylquinolin-1-ium-4-yl)buta-1,3-dienyl]-N,N-dimethylaniline
CID 54441377
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-1-methylquinolin-1-ium
CID 22670767
4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]thiobenzaldehyde
CID 53315504
1-methyl-4-(2-pyridin-4-ylethenyl)quinolin-1-ium
CID 3810456
4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline
CID 54063105
4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]quinolin-8-ol
CID 3877232
trimethyl-[4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]phenyl]azanium
CID 53315270
1-methyl-4-[(Z)-2-(2,4,6-trimethylphenyl)ethenyl]quinolin-1-ium iodide
CID 54608217
1-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 53315592
N,N-bis(2-chloroethyl)-4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline
CID 3378359
(2S)-2-amino-N-[4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]phenyl]propanamide
CID 66963673

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine?
The IUPAC name of N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine (CID 59931788) is N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine?
The canonical SMILES for N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine is CNC=CC=CC=C(C)C=Cc1cc[n+](C)c2ccccc12.
What is the InChIKey of N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine?
The InChIKey is REZAWNLHBOQPHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N2/c1-17(9-5-4-8-15-21-2)12-13-18-14-16-22(3)20-11-7-6-10-19(18)20/h4-16H,1-3H3/p+1.
What are the key properties of N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine?
N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-8-(1-methylquinolin-1-ium-4-yl)octa-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 59931788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).