N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

C22H33ClN4O — CID 120967056

About N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 120967056) has the molecular formula C22H33ClN4O and a molecular weight of 404.99 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
• PubChem CID: 120967056
• Molecular Formula: C22H33ClN4O
• Molecular Weight: 404.99 g/mol
• Exact Mass: 404.23
• IUPAC Name: N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
• SMILES: Cc1cccc(C)c1OCCN(Cc1nccn1C)C1CC12CCNCC2.Cl
• InChI: InChI=1S/C22H32N4O.ClH/c1-17-5-4-6-18(2)21(17)27-14-13-26(16-20-24-11-12-25(20)3)19-15-22(19)7-9-23-10-8-22;/h4-6,11-12,19,23H,7-10,13-16H2,1-3H3;1H
• InChIKey: OKNJKOZHGPPROZ-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 42.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.99
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 120967056) is N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is Cc1cccc(C)c1OCCN(Cc1nccn1C)C1CC12CCNCC2.Cl.

What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

The InChIKey is OKNJKOZHGPPROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O.ClH/c1-17-5-4-6-18(2)21(17)27-14-13-26(16-20-24-11-12-25(20)3)19-15-22(19)7-9-23-10-8-22;/h4-6,11-12,19,23H,7-10,13-16H2,1-3H3;1H.

What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 404.99 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dimethylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 120967056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).