N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine

C19H27N5 — CID 120845200

About N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine

N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine (PubChem CID 120845200) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

• Compound Name: N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine
• PubChem CID: 120845200
• Molecular Formula: C19H27N5
• Molecular Weight: 325.46 g/mol
• Exact Mass: 325.23
• IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine
• SMILES: Cc1ccncc1CN(Cc1nccn1C)C1CC12CCNCC2
• InChI: InChI=1S/C19H27N5/c1-15-3-6-21-12-16(15)13-24(14-18-22-9-10-23(18)2)17-11-19(17)4-7-20-8-5-19/h3,6,9-10,12,17,20H,4-5,7-8,11,13-14H2,1-2H3
• InChIKey: ZUSFSYVIEXKUSP-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.46
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine (CID 120845200) is N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine.

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

The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine is Cc1ccncc1CN(Cc1nccn1C)C1CC12CCNCC2.

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

The InChIKey is ZUSFSYVIEXKUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15-3-6-21-12-16(15)13-24(14-18-22-9-10-23(18)2)17-11-19(17)4-7-20-8-5-19/h3,6,9-10,12,17,20H,4-5,7-8,11,13-14H2,1-2H3.

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

N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine has a molecular weight of 325.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-3-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 120845200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).