1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine

C13H17N3 — CID 142584542

IUPAC1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine
SMILESC=C(N)c1ccnc(N2CC3CCC2C3)c1
InChIInChI=1S/C13H17N3/c1-9(14)11-4-5-15-13(7-11)16-8-10-2-3-12(16)6-10/h4-5,7,10,12H,1-3,6,8,14H2
InChIKeyXNVJQJJUIZSUOH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.00
Rot. Bonds2

About 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine

1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine (PubChem CID 142584542) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine.

Molecular Properties

Compound Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine
PubChem CID142584542
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine
SMILESC=C(N)c1ccnc(N2CC3CCC2C3)c1
InChIInChI=1S/C13H17N3/c1-9(14)11-4-5-15-13(7-11)16-8-10-2-3-12(16)6-10/h4-5,7,10,12H,1-3,6,8,14H2
InChIKeyXNVJQJJUIZSUOH-UHFFFAOYSA-N
XLogP2.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine?
The IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine (CID 142584542) is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine.
What is the SMILES notation for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine?
The canonical SMILES for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine is C=C(N)c1ccnc(N2CC3CCC2C3)c1.
What is the InChIKey of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine?
The InChIKey is XNVJQJJUIZSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(14)11-4-5-15-13(7-11)16-8-10-2-3-12(16)6-10/h4-5,7,10,12H,1-3,6,8,14H2.
What are the key properties of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine?
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine has a molecular weight of 215.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine is sourced from PubChem (CID 142584542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).