N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine

C23H27N4+ — CID 76699858

IUPACN-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine
SMILESCC(=NN(C)c1ccc(N2CCCC2)c2ccccc12)c1cccc[n+]1C
InChIInChI=1S/C23H27N4/c1-18(21-12-6-7-15-25(21)2)24-26(3)22-13-14-23(27-16-8-9-17-27)20-11-5-4-10-19(20)22/h4-7,10-15H,8-9,16-17H2,1-3H3/q+1
InChIKeyZBLUTERUZLXODT-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.12
Rot. Bonds4

About N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine

N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine (PubChem CID 76699858) has the molecular formula C23H27N4+ and a molecular weight of 359.50 g/mol. Its IUPAC name is N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine
PubChem CID76699858
Molecular FormulaC23H27N4+
Molecular Weight359.50 g/mol
Exact Mass359.22
IUPAC NameN-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine
SMILESCC(=NN(C)c1ccc(N2CCCC2)c2ccccc12)c1cccc[n+]1C
InChIInChI=1S/C23H27N4/c1-18(21-12-6-7-15-25(21)2)24-26(3)22-13-14-23(27-16-8-9-17-27)20-11-5-4-10-19(20)22/h4-7,10-15H,8-9,16-17H2,1-3H3/q+1
InChIKeyZBLUTERUZLXODT-UHFFFAOYSA-N
XLogP4.12
TPSA22.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
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'}

Analyze N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine?
The IUPAC name of N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine (CID 76699858) is N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine?
The canonical SMILES for N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine is CC(=NN(C)c1ccc(N2CCCC2)c2ccccc12)c1cccc[n+]1C.
What is the InChIKey of N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine?
The InChIKey is ZBLUTERUZLXODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N4/c1-18(21-12-6-7-15-25(21)2)24-26(3)22-13-14-23(27-16-8-9-17-27)20-11-5-4-10-19(20)22/h4-7,10-15H,8-9,16-17H2,1-3H3/q+1.
What are the key properties of N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine?
N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine has a molecular weight of 359.50 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine is sourced from PubChem (CID 76699858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).