N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine

C24H38N6 — CID 138562576

IUPACN-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
SMILESCc1nn(C)cc1-c1ccc(NCC2CC3(CCN(CCC(C)(C)C)CC3)C2)nn1
InChIInChI=1S/C24H38N6/c1-18-20(17-29(5)28-18)21-6-7-22(27-26-21)25-16-19-14-24(15-19)9-12-30(13-10-24)11-8-23(2,3)4/h6-7,17,19H,8-16H2,1-5H3,(H,25,27)
InChIKeyRQCQITBFNASOAB-UHFFFAOYSA-N
MW410.61 g/mol
LogP4.53
Rot. Bonds6

About N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine

N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine (PubChem CID 138562576) has the molecular formula C24H38N6 and a molecular weight of 410.61 g/mol. Its IUPAC name is N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
PubChem CID138562576
Molecular FormulaC24H38N6
Molecular Weight410.61 g/mol
Exact Mass410.32
IUPAC NameN-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
SMILESCc1nn(C)cc1-c1ccc(NCC2CC3(CCN(CCC(C)(C)C)CC3)C2)nn1
InChIInChI=1S/C24H38N6/c1-18-20(17-29(5)28-18)21-6-7-22(27-26-21)25-16-19-14-24(15-19)9-12-30(13-10-24)11-8-23(2,3)4/h6-7,17,19H,8-16H2,1-5H3,(H,25,27)
InChIKeyRQCQITBFNASOAB-UHFFFAOYSA-N
XLogP4.53
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
The IUPAC name of N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine (CID 138562576) is N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine.
What is the SMILES notation for N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
The canonical SMILES for N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine is Cc1nn(C)cc1-c1ccc(NCC2CC3(CCN(CCC(C)(C)C)CC3)C2)nn1.
What is the InChIKey of N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
The InChIKey is RQCQITBFNASOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6/c1-18-20(17-29(5)28-18)21-6-7-22(27-26-21)25-16-19-14-24(15-19)9-12-30(13-10-24)11-8-23(2,3)4/h6-7,17,19H,8-16H2,1-5H3,(H,25,27).
What are the key properties of N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine has a molecular weight of 410.61 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3,3-dimethylbutyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine is sourced from PubChem (CID 138562576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).