N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine

C18H23N3 — CID 130164851

IUPACN-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine
SMILESCc1ccc(NC2CC(C)N(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H23N3/c1-14-8-9-17(11-19-14)20-18-10-15(2)21(13-18)12-16-6-4-3-5-7-16/h3-9,11,15,18,20H,10,12-13H2,1-2H3
InChIKeyJBLFAPVBIVWUSA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.46
Rot. Bonds4

About N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine

N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine (PubChem CID 130164851) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine
PubChem CID130164851
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine
SMILESCc1ccc(NC2CC(C)N(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H23N3/c1-14-8-9-17(11-19-14)20-18-10-15(2)21(13-18)12-16-6-4-3-5-7-16/h3-9,11,15,18,20H,10,12-13H2,1-2H3
InChIKeyJBLFAPVBIVWUSA-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine
CID 130857368
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine
CID 131008130
2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine
CID 131097771
1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine
CID 130528224
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine
CID 131197683
N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 131171404
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
CID 130528313
N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide
CID 112742796
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine?
The IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine (CID 130164851) is N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine.
What is the SMILES notation for N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine?
The canonical SMILES for N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine is Cc1ccc(NC2CC(C)N(Cc3ccccc3)C2)cn1.
What is the InChIKey of N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine?
The InChIKey is JBLFAPVBIVWUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-8-9-17(11-19-14)20-18-10-15(2)21(13-18)12-16-6-4-3-5-7-16/h3-9,11,15,18,20H,10,12-13H2,1-2H3.
What are the key properties of N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine?
N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine is sourced from PubChem (CID 130164851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).