2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine

C11H17N3 — CID 104739860

IUPAC2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine
SMILESCC1CCN(Cc2ncccc2N)C1
InChIInChI=1S/C11H17N3/c1-9-4-6-14(7-9)8-11-10(12)3-2-5-13-11/h2-3,5,9H,4,6-8,12H2,1H3
InChIKeyQZEPNTVFYNARSA-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.51
Rot. Bonds2

About 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine

2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine (PubChem CID 104739860) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine
PubChem CID104739860
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine
SMILESCC1CCN(Cc2ncccc2N)C1
InChIInChI=1S/C11H17N3/c1-9-4-6-14(7-9)8-11-10(12)3-2-5-13-11/h2-3,5,9H,4,6-8,12H2,1H3
InChIKeyQZEPNTVFYNARSA-UHFFFAOYSA-N
XLogP1.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine (CID 104739860) is 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine is CC1CCN(Cc2ncccc2N)C1.
What is the InChIKey of 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine?
The InChIKey is QZEPNTVFYNARSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-4-6-14(7-9)8-11-10(12)3-2-5-13-11/h2-3,5,9H,4,6-8,12H2,1H3.
What are the key properties of 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine?
2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 104739860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).