9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C13H22N4 — CID 65471806

IUPAC9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCc1ccn[nH]1)C2
InChIInChI=1S/C13H22N4/c1-17-12-3-2-4-13(17)8-11(7-12)14-9-10-5-6-15-16-10/h5-6,11-14H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyALBLWOCOXCMSTB-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.51
Rot. Bonds3

About 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471806) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471806
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCc1ccn[nH]1)C2
InChIInChI=1S/C13H22N4/c1-17-12-3-2-4-13(17)8-11(7-12)14-9-10-5-6-15-16-10/h5-6,11-14H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyALBLWOCOXCMSTB-UHFFFAOYSA-N
XLogP1.51
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471806) is 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(NCc1ccn[nH]1)C2.
What is the InChIKey of 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ALBLWOCOXCMSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17-12-3-2-4-13(17)8-11(7-12)14-9-10-5-6-15-16-10/h5-6,11-14H,2-4,7-9H2,1H3,(H,15,16).
What are the key properties of 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(1H-pyrazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).