N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine

C12H18N4 — CID 62483877

IUPACN-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine
SMILESc1cnnc(NC2CCNC3(CCC3)C2)c1
InChIInChI=1S/C12H18N4/c1-3-11(16-14-7-1)15-10-4-8-13-12(9-10)5-2-6-12/h1,3,7,10,13H,2,4-6,8-9H2,(H,15,16)
InChIKeyREQZVBSDZYLIJU-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.56
Rot. Bonds2

About N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine

N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine (PubChem CID 62483877) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine
PubChem CID62483877
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine
SMILESc1cnnc(NC2CCNC3(CCC3)C2)c1
InChIInChI=1S/C12H18N4/c1-3-11(16-14-7-1)15-10-4-8-13-12(9-10)5-2-6-12/h1,3,7,10,13H,2,4-6,8-9H2,(H,15,16)
InChIKeyREQZVBSDZYLIJU-UHFFFAOYSA-N
XLogP1.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine?
The IUPAC name of N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine (CID 62483877) is N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine is c1cnnc(NC2CCNC3(CCC3)C2)c1.
What is the InChIKey of N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine?
The InChIKey is REQZVBSDZYLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-11(16-14-7-1)15-10-4-8-13-12(9-10)5-2-6-12/h1,3,7,10,13H,2,4-6,8-9H2,(H,15,16).
What are the key properties of N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine?
N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine has a molecular weight of 218.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 62483877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).