(2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine

C20H32N6 — CID 129476793

About (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine

(2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine (PubChem CID 129476793) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

• Compound Name: (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine
• PubChem CID: 129476793
• Molecular Formula: C20H32N6
• Molecular Weight: 356.52 g/mol
• Exact Mass: 356.27
• IUPAC Name: (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine
• SMILES: CC(C)Cn1cc(CN(Cc2nccn2C)[C@@H]2CC23CCNCC3)cn1
• InChI: InChI=1S/C20H32N6/c1-16(2)12-26-14-17(11-23-26)13-25(15-19-22-8-9-24(19)3)18-10-20(18)4-6-21-7-5-20/h8-9,11,14,16,18,21H,4-7,10,12-13,15H2,1-3H3/t18-/m1/s1
• InChIKey: UZEKPQIHYYQKNW-GOSISDBHSA-N
• XLogP: 2.42
• TPSA: 50.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.52
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine?

The IUPAC name of (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine (CID 129476793) is (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine.

What is the SMILES notation for (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine?

The canonical SMILES for (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine is CC(C)Cn1cc(CN(Cc2nccn2C)[C@@H]2CC23CCNCC3)cn1.

What is the InChIKey of (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine?

The InChIKey is UZEKPQIHYYQKNW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N6/c1-16(2)12-26-14-17(11-23-26)13-25(15-19-22-8-9-24(19)3)18-10-20(18)4-6-21-7-5-20/h8-9,11,14,16,18,21H,4-7,10,12-13,15H2,1-3H3/t18-/m1/s1.

What are the key properties of (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine?

(2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine has a molecular weight of 356.52 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129476793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).