N-methyl-1-pyridin-2-ylpyrrolidin-3-amine

C10H15N3 — CID 79002061

IUPACN-methyl-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccccn2)C1
InChIInChI=1S/C10H15N3/c1-11-9-5-7-13(8-9)10-4-2-3-6-12-10/h2-4,6,9,11H,5,7-8H2,1H3
InChIKeyLJIJQOHVCHFKKW-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.88
Rot. Bonds2

About N-methyl-1-pyridin-2-ylpyrrolidin-3-amine

N-methyl-1-pyridin-2-ylpyrrolidin-3-amine (PubChem CID 79002061) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methyl-1-pyridin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-pyridin-2-ylpyrrolidin-3-amine
PubChem CID79002061
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-methyl-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccccn2)C1
InChIInChI=1S/C10H15N3/c1-11-9-5-7-13(8-9)10-4-2-3-6-12-10/h2-4,6,9,11H,5,7-8H2,1H3
InChIKeyLJIJQOHVCHFKKW-UHFFFAOYSA-N
XLogP0.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-2-ylpyrrolidin-3-amine?
The IUPAC name of N-methyl-1-pyridin-2-ylpyrrolidin-3-amine (CID 79002061) is N-methyl-1-pyridin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-pyridin-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-pyridin-2-ylpyrrolidin-3-amine is CNC1CCN(c2ccccn2)C1.
What is the InChIKey of N-methyl-1-pyridin-2-ylpyrrolidin-3-amine?
The InChIKey is LJIJQOHVCHFKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-11-9-5-7-13(8-9)10-4-2-3-6-12-10/h2-4,6,9,11H,5,7-8H2,1H3.
What are the key properties of N-methyl-1-pyridin-2-ylpyrrolidin-3-amine?
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine has a molecular weight of 177.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 79002061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).