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

C19H31N5 — CID 67087715

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCNC1CCN(c2cnnc(NCC3CCC4CC3C4(C)C)c2)C1
InChIInChI=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)
InChIKeyVGUSEASWPRWZDI-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.76
Rot. Bonds5

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 NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
PubChem CID67087715
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCNC1CCN(c2cnnc(NCC3CCC4CC3C4(C)C)c2)C1
InChIInChI=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)
InChIKeyVGUSEASWPRWZDI-UHFFFAOYSA-N
XLogP2.76
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).