N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

C19H31N5 — CID 67087715

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (PubChem CID 67087715) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.

Molecular Properties

• Compound Name: N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
• PubChem CID: 67087715
• Molecular Formula: C19H31N5
• Molecular Weight: 329.49 g/mol
• Exact Mass: 329.26
• IUPAC Name: N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
• SMILES: CNC1CCN(c2cnnc(NCC3CCC4CC3C4(C)C)c2)C1
• InChI: InChI=1S/C19H31N5/c1-19(2)14-5-4-13(17(19)8-14)10-21-18-9-16(11-22-23-18)24-7-6-15(12-24)20-3/h9,11,13-15,17,20H,4-8,10,12H2,1-3H3,(H,21,23)
• InChIKey: VGUSEASWPRWZDI-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 53.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.49
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?

The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (CID 67087715) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.

What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?

The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is CNC1CCN(c2cnnc(NCC3CCC4CC3C4(C)C)c2)C1.

What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?

The InChIKey is VGUSEASWPRWZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-19(2)14-5-4-13(17(19)8-14)10-21-18-9-16(11-22-23-18)24-7-6-15(12-24)20-3/h9,11,13-15,17,20H,4-8,10,12H2,1-3H3,(H,21,23).

What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?

N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine has a molecular weight of 329.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 67087715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).