2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine

C15H24N4 — CID 134595633

IUPAC2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine
SMILESCNC1CC2(C1)CN(c1ccc(C(C)(C)C)nn1)C2
InChIInChI=1S/C15H24N4/c1-14(2,3)12-5-6-13(18-17-12)19-9-15(10-19)7-11(8-15)16-4/h5-6,11,16H,7-10H2,1-4H3
InChIKeyKACVNPPVULVTAT-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.96
Rot. Bonds2

About 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine

2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine (PubChem CID 134595633) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Name2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine
PubChem CID134595633
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine
SMILESCNC1CC2(C1)CN(c1ccc(C(C)(C)C)nn1)C2
InChIInChI=1S/C15H24N4/c1-14(2,3)12-5-6-13(18-17-12)19-9-15(10-19)7-11(8-15)16-4/h5-6,11,16H,7-10H2,1-4H3
InChIKeyKACVNPPVULVTAT-UHFFFAOYSA-N
XLogP1.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine (CID 134595633) is 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine is CNC1CC2(C1)CN(c1ccc(C(C)(C)C)nn1)C2.
What is the InChIKey of 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is KACVNPPVULVTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-14(2,3)12-5-6-13(18-17-12)19-9-15(10-19)7-11(8-15)16-4/h5-6,11,16H,7-10H2,1-4H3.
What are the key properties of 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine?
2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 260.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 134595633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).