[6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine

C13H19N3 — CID 106906279

IUPAC[6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine
SMILESNCc1cccc(CN2CC3CCC2C3)n1
InChIInChI=1S/C13H19N3/c14-7-11-2-1-3-12(15-11)9-16-8-10-4-5-13(16)6-10/h1-3,10,13H,4-9,14H2
InChIKeyZYZSMVWUHPBBSU-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.52
Rot. Bonds3

About [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine

[6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine (PubChem CID 106906279) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine
PubChem CID106906279
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name[6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine
SMILESNCc1cccc(CN2CC3CCC2C3)n1
InChIInChI=1S/C13H19N3/c14-7-11-2-1-3-12(15-11)9-16-8-10-4-5-13(16)6-10/h1-3,10,13H,4-9,14H2
InChIKeyZYZSMVWUHPBBSU-UHFFFAOYSA-N
XLogP1.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine (CID 106906279) is [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine is NCc1cccc(CN2CC3CCC2C3)n1.
What is the InChIKey of [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine?
The InChIKey is ZYZSMVWUHPBBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-7-11-2-1-3-12(15-11)9-16-8-10-4-5-13(16)6-10/h1-3,10,13H,4-9,14H2.
What are the key properties of [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine?
[6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine has a molecular weight of 217.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 106906279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).