3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine

C22H33N5 — CID 137247920

About 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine

3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine (PubChem CID 137247920) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine.

Molecular Properties

• Compound Name: 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine
• PubChem CID: 137247920
• Molecular Formula: C22H33N5
• Molecular Weight: 367.54 g/mol
• Exact Mass: 367.27
• IUPAC Name: 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine
• SMILES: C/N=C/C1=C(/C=N/CC2=CC(C)=C(CC3CCC3)N(C)C2)C(NC)C=CN1
• InChI: InChI=1S/C22H33N5/c1-16-10-18(15-27(4)22(16)11-17-6-5-7-17)12-25-13-19-20(24-3)8-9-26-21(19)14-23-2/h8-10,13-14,17,20,24,26H,5-7,11-12,15H2,1-4H3/b23-14+,25-13+
• InChIKey: FLLWQLUGWVAAKN-VNVXGXLASA-N
• XLogP: 3.05
• TPSA: 52.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.54
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine?

The IUPAC name of 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine (CID 137247920) is 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine.

What is the SMILES notation for 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine?

The canonical SMILES for 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine is C/N=C/C1=C(/C=N/CC2=CC(C)=C(CC3CCC3)N(C)C2)C(NC)C=CN1.

What is the InChIKey of 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine?

The InChIKey is FLLWQLUGWVAAKN-VNVXGXLASA-N. The full InChI is InChI=1S/C22H33N5/c1-16-10-18(15-27(4)22(16)11-17-6-5-7-17)12-25-13-19-20(24-3)8-9-26-21(19)14-23-2/h8-10,13-14,17,20,24,26H,5-7,11-12,15H2,1-4H3/b23-14+,25-13+.

What are the key properties of 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine?

3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine has a molecular weight of 367.54 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-(cyclobutylmethyl)-1,5-dimethyl-2H-pyridin-3-yl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine is sourced from PubChem (CID 137247920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).