N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine

C14H21N3 — CID 62293603

IUPACN-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CC3CCC2C3)n1
InChIInChI=1S/C14H21N3/c1-2-15-9-12-4-3-5-14(16-12)17-10-11-6-7-13(17)8-11/h3-5,11,13,15H,2,6-10H2,1H3
InChIKeyYFBZEIIGSNTFDP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.18
Rot. Bonds4

About N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine

N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 62293603) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID62293603
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CC3CCC2C3)n1
InChIInChI=1S/C14H21N3/c1-2-15-9-12-4-3-5-14(16-12)17-10-11-6-7-13(17)8-11/h3-5,11,13,15H,2,6-10H2,1H3
InChIKeyYFBZEIIGSNTFDP-UHFFFAOYSA-N
XLogP2.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine (CID 62293603) is N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(N2CC3CCC2C3)n1.
What is the InChIKey of N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is YFBZEIIGSNTFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-15-9-12-4-3-5-14(16-12)17-10-11-6-7-13(17)8-11/h3-5,11,13,15H,2,6-10H2,1H3.
What are the key properties of N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62293603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).