N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline

C15H19N4+ — CID 76745592

IUPACN-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline
SMILESCN(N=Cc1cc[n+](CCN)cc1)c1ccccc1
InChIInChI=1S/C15H19N4/c1-18(15-5-3-2-4-6-15)17-13-14-7-10-19(11-8-14)12-9-16/h2-8,10-11,13H,9,12,16H2,1H3/q+1
InChIKeyPJMSFDPFEHDTBN-UHFFFAOYSA-N
MW255.35 g/mol
LogP1.40
Rot. Bonds5

About N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline

N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline (PubChem CID 76745592) has the molecular formula C15H19N4+ and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline
PubChem CID76745592
Molecular FormulaC15H19N4+
Molecular Weight255.35 g/mol
Exact Mass255.16
IUPAC NameN-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline
SMILESCN(N=Cc1cc[n+](CCN)cc1)c1ccccc1
InChIInChI=1S/C15H19N4/c1-18(15-5-3-2-4-6-15)17-13-14-7-10-19(11-8-14)12-9-16/h2-8,10-11,13H,9,12,16H2,1H3/q+1
InChIKeyPJMSFDPFEHDTBN-UHFFFAOYSA-N
XLogP1.40
TPSA45.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(E)-[1-[6-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 23117094
N-methyl-N-[(E)-[1-[2-[2-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 58121438
N-methyl-N-[(E)-(1-pentylpyridin-1-ium-4-yl)methylideneamino]aniline
CID 143565582
N,N-dimethyl-4-[[1-[3-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]diazenyl]aniline dibromide
CID 172919753
1-S-[2-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]ethyl] 4-S-[2-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]ethyl] butanebis(thioate) dichloride
CID 158063089
1,5-dibromopentane;N-methyl-N-[(E)-[1-[5-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]methylideneamino]aniline;N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]aniline;dibromide
CID 172971431
N-methyl-N-[(E)-[1-[6-[9-[(E)-[methyl(phenyl)hydrazinylidene]methyl]acridin-10-ium-10-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 58637435
4-N-methyl-4-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine
CID 76699706
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
4-methoxy-N-[(E)-[1-[5-[4-[(E)-[(4-methoxyphenyl)-methylhydrazinylidene]methyl]pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline
CID 58637419
N,N-dimethyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-2-yl]diazenyl]aniline dichloride
CID 172953453
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
CID 90481154

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline?
The IUPAC name of N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline (CID 76745592) is N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline.
What is the SMILES notation for N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline?
The canonical SMILES for N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline is CN(N=Cc1cc[n+](CCN)cc1)c1ccccc1.
What is the InChIKey of N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline?
The InChIKey is PJMSFDPFEHDTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N4/c1-18(15-5-3-2-4-6-15)17-13-14-7-10-19(11-8-14)12-9-16/h2-8,10-11,13H,9,12,16H2,1H3/q+1.
What are the key properties of N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline?
N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline has a molecular weight of 255.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline is sourced from PubChem (CID 76745592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).