1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid

C15H22N2O2 — CID 21204164

IUPAC1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid
SMILESCC(N)C1CC2CCC1C2.O=C(O)c1ccncc1
InChIInChI=1S/C9H17N.C6H5NO2/c1-6(10)9-5-7-2-3-8(9)4-7;8-6(9)5-1-3-7-4-2-5/h6-9H,2-5,10H2,1H3;1-4H,(H,8,9)
InChIKeyWGMQUFJTQIWQED-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.55
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid

1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid (PubChem CID 21204164) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid
PubChem CID21204164
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid
SMILESCC(N)C1CC2CCC1C2.O=C(O)c1ccncc1
InChIInChI=1S/C9H17N.C6H5NO2/c1-6(10)9-5-7-2-3-8(9)4-7;8-6(9)5-1-3-7-4-2-5/h6-9H,2-5,10H2,1H3;1-4H,(H,8,9)
InChIKeyWGMQUFJTQIWQED-UHFFFAOYSA-N
XLogP2.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid (CID 21204164) is 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid is CC(N)C1CC2CCC1C2.O=C(O)c1ccncc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid?
The InChIKey is WGMQUFJTQIWQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C6H5NO2/c1-6(10)9-5-7-2-3-8(9)4-7;8-6(9)5-1-3-7-4-2-5/h6-9H,2-5,10H2,1H3;1-4H,(H,8,9).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid?
1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid is sourced from PubChem (CID 21204164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).