N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine

C21H35N3S — CID 16673427

IUPACN-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine
SMILESCN1CCC(CN(C)Cc2ccc(C3=CC(C)(C)NC(C)(C)C3)s2)C1
InChIInChI=1S/C21H35N3S/c1-20(2)11-17(12-21(3,4)22-20)19-8-7-18(25-19)15-24(6)14-16-9-10-23(5)13-16/h7-8,11,16,22H,9-10,12-15H2,1-6H3
InChIKeyFDLPYMZCFDMIMY-UHFFFAOYSA-N
MW361.60 g/mol
LogP4.07
Rot. Bonds5

About N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine

N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine (PubChem CID 16673427) has the molecular formula C21H35N3S and a molecular weight of 361.60 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine
PubChem CID16673427
Molecular FormulaC21H35N3S
Molecular Weight361.60 g/mol
Exact Mass361.26
IUPAC NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine
SMILESCN1CCC(CN(C)Cc2ccc(C3=CC(C)(C)NC(C)(C)C3)s2)C1
InChIInChI=1S/C21H35N3S/c1-20(2)11-17(12-21(3,4)22-20)19-8-7-18(25-19)15-24(6)14-16-9-10-23(5)13-16/h7-8,11,16,22H,9-10,12-15H2,1-6H3
InChIKeyFDLPYMZCFDMIMY-UHFFFAOYSA-N
XLogP4.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine (CID 16673427) is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine is CN1CCC(CN(C)Cc2ccc(C3=CC(C)(C)NC(C)(C)C3)s2)C1.
What is the InChIKey of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine?
The InChIKey is FDLPYMZCFDMIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3S/c1-20(2)11-17(12-21(3,4)22-20)19-8-7-18(25-19)15-24(6)14-16-9-10-23(5)13-16/h7-8,11,16,22H,9-10,12-15H2,1-6H3.
What are the key properties of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine?
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine has a molecular weight of 361.60 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine is sourced from PubChem (CID 16673427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).