9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

C13H22N4 — CID 63302875

IUPAC9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCn1nccc1CN1C2CCCC1CC(N)C2
InChIInChI=1S/C13H22N4/c1-16-13(5-6-15-16)9-17-11-3-2-4-12(17)8-10(14)7-11/h5-6,10-12H,2-4,7-9,14H2,1H3
InChIKeyWTXQROSWKIFXOM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.26
Rot. Bonds2

About 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 63302875) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID63302875
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCn1nccc1CN1C2CCCC1CC(N)C2
InChIInChI=1S/C13H22N4/c1-16-13(5-6-15-16)9-17-11-3-2-4-12(17)8-10(14)7-11/h5-6,10-12H,2-4,7-9,14H2,1H3
InChIKeyWTXQROSWKIFXOM-UHFFFAOYSA-N
XLogP1.26
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 63302875) is 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is Cn1nccc1CN1C2CCCC1CC(N)C2.
What is the InChIKey of 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WTXQROSWKIFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-13(5-6-15-16)9-17-11-3-2-4-12(17)8-10(14)7-11/h5-6,10-12H,2-4,7-9,14H2,1H3.
What are the key properties of 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 63302875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).