[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine

C12H19N3 — CID 102783955

IUPAC[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine
SMILESCc1cc(N2CCC(C)C2CN)ccn1
InChIInChI=1S/C12H19N3/c1-9-4-6-15(12(9)8-13)11-3-5-14-10(2)7-11/h3,5,7,9,12H,4,6,8,13H2,1-2H3
InChIKeyAFOZGBWMKPUEPO-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.56
Rot. Bonds2

About [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine

[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine (PubChem CID 102783955) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine
PubChem CID102783955
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine
SMILESCc1cc(N2CCC(C)C2CN)ccn1
InChIInChI=1S/C12H19N3/c1-9-4-6-15(12(9)8-13)11-3-5-14-10(2)7-11/h3,5,7,9,12H,4,6,8,13H2,1-2H3
InChIKeyAFOZGBWMKPUEPO-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine (CID 102783955) is [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine is Cc1cc(N2CCC(C)C2CN)ccn1.
What is the InChIKey of [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine?
The InChIKey is AFOZGBWMKPUEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-4-6-15(12(9)8-13)11-3-5-14-10(2)7-11/h3,5,7,9,12H,4,6,8,13H2,1-2H3.
What are the key properties of [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine?
[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine has a molecular weight of 205.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102783955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).