4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C14H19N3O — CID 114247332

IUPAC4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESNCc1ccc(N2CC3CC4CC3C2C4O)nc1
InChIInChI=1S/C14H19N3O/c15-5-8-1-2-12(16-6-8)17-7-10-3-9-4-11(10)13(17)14(9)18/h1-2,6,9-11,13-14,18H,3-5,7,15H2
InChIKeyUVAUICXNOPQELH-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.75
Rot. Bonds2

About 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 114247332) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID114247332
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESNCc1ccc(N2CC3CC4CC3C2C4O)nc1
InChIInChI=1S/C14H19N3O/c15-5-8-1-2-12(16-6-8)17-7-10-3-9-4-11(10)13(17)14(9)18/h1-2,6,9-11,13-14,18H,3-5,7,15H2
InChIKeyUVAUICXNOPQELH-UHFFFAOYSA-N
XLogP0.75
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 114247332) is 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is NCc1ccc(N2CC3CC4CC3C2C4O)nc1.
What is the InChIKey of 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is UVAUICXNOPQELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-5-8-1-2-12(16-6-8)17-7-10-3-9-4-11(10)13(17)14(9)18/h1-2,6,9-11,13-14,18H,3-5,7,15H2.
What are the key properties of 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-pyridinyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 114247332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).