(2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine

C21H30N4 — CID 129476402

About (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine

(2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine (PubChem CID 129476402) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

• Compound Name: (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
• PubChem CID: 129476402
• Molecular Formula: C21H30N4
• Molecular Weight: 338.50 g/mol
• Exact Mass: 338.25
• IUPAC Name: (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
• SMILES: Cc1cccc(CN(Cc2nccn2C)[C@@H]2CC23CCNCC3)c1C
• InChI: InChI=1S/C21H30N4/c1-16-5-4-6-18(17(16)2)14-25(15-20-23-11-12-24(20)3)19-13-21(19)7-9-22-10-8-21/h4-6,11-12,19,22H,7-10,13-15H2,1-3H3/t19-/m1/s1
• InChIKey: QETQOPWDPQIKGE-LJQANCHMSA-N
• XLogP: 3.18
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.50
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The IUPAC name of (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine (CID 129476402) is (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

What is the SMILES notation for (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The canonical SMILES for (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine is Cc1cccc(CN(Cc2nccn2C)[C@@H]2CC23CCNCC3)c1C.

What is the InChIKey of (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The InChIKey is QETQOPWDPQIKGE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N4/c1-16-5-4-6-18(17(16)2)14-25(15-20-23-11-12-24(20)3)19-13-21(19)7-9-22-10-8-21/h4-6,11-12,19,22H,7-10,13-15H2,1-3H3/t19-/m1/s1.

What are the key properties of (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

(2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine has a molecular weight of 338.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129476402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).