9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C15H23N3 — CID 62712936

IUPAC9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2CCc1ccncc1
InChIInChI=1S/C15H23N3/c16-13-10-14-2-1-3-15(11-13)18(14)9-6-12-4-7-17-8-5-12/h4-5,7-8,13-15H,1-3,6,9-11,16H2
InChIKeyACFOKIJTHIPXDW-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.97
Rot. Bonds3

About 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712936) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712936
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2CCc1ccncc1
InChIInChI=1S/C15H23N3/c16-13-10-14-2-1-3-15(11-13)18(14)9-6-12-4-7-17-8-5-12/h4-5,7-8,13-15H,1-3,6,9-11,16H2
InChIKeyACFOKIJTHIPXDW-UHFFFAOYSA-N
XLogP1.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712936) is 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2CCc1ccncc1.
What is the InChIKey of 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ACFOKIJTHIPXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-13-10-14-2-1-3-15(11-13)18(14)9-6-12-4-7-17-8-5-12/h4-5,7-8,13-15H,1-3,6,9-11,16H2.
What are the key properties of 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 245.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).