4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine

C13H20N4 — CID 175740276

IUPAC4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine
SMILESNc1nccc(N2CCC3(CCC3)CC2)c1N
InChIInChI=1S/C13H20N4/c14-11-10(2-7-16-12(11)15)17-8-5-13(6-9-17)3-1-4-13/h2,7H,1,3-6,8-9,14H2,(H2,15,16)
InChIKeySPGFSOFXFBAPGO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.02
Rot. Bonds1

About 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine

4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine (PubChem CID 175740276) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine
PubChem CID175740276
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine
SMILESNc1nccc(N2CCC3(CCC3)CC2)c1N
InChIInChI=1S/C13H20N4/c14-11-10(2-7-16-12(11)15)17-8-5-13(6-9-17)3-1-4-13/h2,7H,1,3-6,8-9,14H2,(H2,15,16)
InChIKeySPGFSOFXFBAPGO-UHFFFAOYSA-N
XLogP2.02
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine?
The IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine (CID 175740276) is 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine.
What is the SMILES notation for 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine?
The canonical SMILES for 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine is Nc1nccc(N2CCC3(CCC3)CC2)c1N.
What is the InChIKey of 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine?
The InChIKey is SPGFSOFXFBAPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-11-10(2-7-16-12(11)15)17-8-5-13(6-9-17)3-1-4-13/h2,7H,1,3-6,8-9,14H2,(H2,15,16).
What are the key properties of 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine?
4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azaspiro[3.5]nonan-7-yl)pyridine-2,3-diamine is sourced from PubChem (CID 175740276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).