[1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine

C12H19N3 — CID 83819952

IUPAC[1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(C2(CN)CCN(C)C2)cn1
InChIInChI=1S/C12H19N3/c1-10-3-4-11(7-14-10)12(8-13)5-6-15(2)9-12/h3-4,7H,5-6,8-9,13H2,1-2H3
InChIKeyJEZWZKNKPIXGPE-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.92
Rot. Bonds2

About [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine

[1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine (PubChem CID 83819952) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
PubChem CID83819952
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name[1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(C2(CN)CCN(C)C2)cn1
InChIInChI=1S/C12H19N3/c1-10-3-4-11(7-14-10)12(8-13)5-6-15(2)9-12/h3-4,7H,5-6,8-9,13H2,1-2H3
InChIKeyJEZWZKNKPIXGPE-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine (CID 83819952) is [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine is Cc1ccc(C2(CN)CCN(C)C2)cn1.
What is the InChIKey of [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine?
The InChIKey is JEZWZKNKPIXGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-3-4-11(7-14-10)12(8-13)5-6-15(2)9-12/h3-4,7H,5-6,8-9,13H2,1-2H3.
What are the key properties of [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine?
[1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine has a molecular weight of 205.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 83819952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).