N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

C20H33ClN6 — CID 120845181

About N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 120845181) has the molecular formula C20H33ClN6 and a molecular weight of 392.98 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
• PubChem CID: 120845181
• Molecular Formula: C20H33ClN6
• Molecular Weight: 392.98 g/mol
• Exact Mass: 392.25
• IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
• SMILES: Cc1nn(C(C)C)cc1CN(Cc1nccn1C)C1CC12CCNCC2.Cl
• InChI: InChI=1S/C20H32N6.ClH/c1-15(2)26-13-17(16(3)23-26)12-25(14-19-22-9-10-24(19)4)18-11-20(18)5-7-21-8-6-20;/h9-10,13,15,18,21H,5-8,11-12,14H2,1-4H3;1H
• InChIKey: SFWZHDGDZMRQLH-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 50.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.98
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 120845181) is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is Cc1nn(C(C)C)cc1CN(Cc1nccn1C)C1CC12CCNCC2.Cl.

What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

The InChIKey is SFWZHDGDZMRQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6.ClH/c1-15(2)26-13-17(16(3)23-26)12-25(14-19-22-9-10-24(19)4)18-11-20(18)5-7-21-8-6-20;/h9-10,13,15,18,21H,5-8,11-12,14H2,1-4H3;1H.

What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 392.98 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 120845181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).