2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine

C12H19N3 — CID 106637852

IUPAC2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESc1cncc(CCNCC2CCCN2)c1
InChIInChI=1S/C12H19N3/c1-3-11(9-13-6-1)5-8-14-10-12-4-2-7-15-12/h1,3,6,9,12,14-15H,2,4-5,7-8,10H2
InChIKeyAPIFHWJVNXNMLC-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.97
Rot. Bonds5

About 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine

2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106637852) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106637852
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESc1cncc(CCNCC2CCCN2)c1
InChIInChI=1S/C12H19N3/c1-3-11(9-13-6-1)5-8-14-10-12-4-2-7-15-12/h1,3,6,9,12,14-15H,2,4-5,7-8,10H2
InChIKeyAPIFHWJVNXNMLC-UHFFFAOYSA-N
XLogP0.97
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine
CID 115238152
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 97165900
N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
CID 63265124
N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 68550195
3-[[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166301
N-methyl-N-(piperidin-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 106635742
3-(2-pyridin-3-ylethylamino)piperidin-2-one
CID 63264736

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106637852) is 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine is c1cncc(CCNCC2CCCN2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is APIFHWJVNXNMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-11(9-13-6-1)5-8-14-10-12-4-2-7-15-12/h1,3,6,9,12,14-15H,2,4-5,7-8,10H2.
What are the key properties of 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 205.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106637852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).