N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine

C24H38N6 — CID 142582623

IUPACN-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
SMILESCc1cnn(C)c1-c1ccc(NCCC2CCC3CN(CCC(C)(C)C)CC23)nn1
InChIInChI=1S/C24H38N6/c1-17-14-26-29(5)23(17)21-8-9-22(28-27-21)25-12-10-18-6-7-19-15-30(16-20(18)19)13-11-24(2,3)4/h8-9,14,18-20H,6-7,10-13,15-16H2,1-5H3,(H,25,28)
InChIKeyOMRVULPVOYRUFK-UHFFFAOYSA-N
MW410.61 g/mol
LogP4.38
Rot. Bonds7

About N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine

N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine (PubChem CID 142582623) has the molecular formula C24H38N6 and a molecular weight of 410.61 g/mol. Its IUPAC name is N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
PubChem CID142582623
Molecular FormulaC24H38N6
Molecular Weight410.61 g/mol
Exact Mass410.32
IUPAC NameN-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
SMILESCc1cnn(C)c1-c1ccc(NCCC2CCC3CN(CCC(C)(C)C)CC23)nn1
InChIInChI=1S/C24H38N6/c1-17-14-26-29(5)23(17)21-8-9-22(28-27-21)25-12-10-18-6-7-19-15-30(16-20(18)19)13-11-24(2,3)4/h8-9,14,18-20H,6-7,10-13,15-16H2,1-5H3,(H,25,28)
InChIKeyOMRVULPVOYRUFK-UHFFFAOYSA-N
XLogP4.38
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine?
The IUPAC name of N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine (CID 142582623) is N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine.
What is the SMILES notation for N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine?
The canonical SMILES for N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine is Cc1cnn(C)c1-c1ccc(NCCC2CCC3CN(CCC(C)(C)C)CC23)nn1.
What is the InChIKey of N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine?
The InChIKey is OMRVULPVOYRUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6/c1-17-14-26-29(5)23(17)21-8-9-22(28-27-21)25-12-10-18-6-7-19-15-30(16-20(18)19)13-11-24(2,3)4/h8-9,14,18-20H,6-7,10-13,15-16H2,1-5H3,(H,25,28).
What are the key properties of N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine?
N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine has a molecular weight of 410.61 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine is sourced from PubChem (CID 142582623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).