1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine

C15H25N3 — CID 80634790

IUPAC1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(N2CCC(C)C2)c(C)c1
InChIInChI=1S/C15H25N3/c1-4-14(16)8-13-7-12(3)15(17-9-13)18-6-5-11(2)10-18/h7,9,11,14H,4-6,8,10,16H2,1-3H3
InChIKeyFAIPTXVCAWLXLD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.52
Rot. Bonds4

About 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine

1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine (PubChem CID 80634790) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
PubChem CID80634790
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(N2CCC(C)C2)c(C)c1
InChIInChI=1S/C15H25N3/c1-4-14(16)8-13-7-12(3)15(17-9-13)18-6-5-11(2)10-18/h7,9,11,14H,4-6,8,10,16H2,1-3H3
InChIKeyFAIPTXVCAWLXLD-UHFFFAOYSA-N
XLogP2.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80634863
1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 80634867
1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634855
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634124
1-[5-methyl-6-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]butan-2-amine
CID 114597432
1-[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]butan-2-amine
CID 80635191
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634462
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80634466
[5-methyl-6-(3-methylazetidin-1-yl)-3-pyridinyl]methanol
CID 164658279
[6-(4-ethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80630113

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine (CID 80634790) is 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine is CCC(N)Cc1cnc(N2CCC(C)C2)c(C)c1.
What is the InChIKey of 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine?
The InChIKey is FAIPTXVCAWLXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-14(16)8-13-7-12(3)15(17-9-13)18-6-5-11(2)10-18/h7,9,11,14H,4-6,8,10,16H2,1-3H3.
What are the key properties of 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine?
1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80634790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).