4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine

C22H36N4O — CID 158286096

IUPAC4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine
SMILESCC(C)(C)CCN1C[C@H]2CC(Cc3ccc(N4CCOCC4)nn3)C[C@H]2C1
InChIInChI=1S/C22H36N4O/c1-22(2,3)6-7-25-15-18-12-17(13-19(18)16-25)14-20-4-5-21(24-23-20)26-8-10-27-11-9-26/h4-5,17-19H,6-16H2,1-3H3/t17?,18-,19+
InChIKeyGKULVVUAFUCEGP-YQQQUEKLSA-N
MW372.56 g/mol
LogP3.25
Rot. Bonds5

About 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine

4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine (PubChem CID 158286096) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine
PubChem CID158286096
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine
SMILESCC(C)(C)CCN1C[C@H]2CC(Cc3ccc(N4CCOCC4)nn3)C[C@H]2C1
InChIInChI=1S/C22H36N4O/c1-22(2,3)6-7-25-15-18-12-17(13-19(18)16-25)14-20-4-5-21(24-23-20)26-8-10-27-11-9-26/h4-5,17-19H,6-16H2,1-3H3/t17?,18-,19+
InChIKeyGKULVVUAFUCEGP-YQQQUEKLSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine with MolForge

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Related Compounds

4-(6-ethylpyridazin-3-yl)morpholine
CID 118486685
4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
CID 82036401
4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine
CID 95847079
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62284393
(3aS)-N-(6-morpholin-4-ylpyridazin-3-yl)-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578320
3-[(1-methylpiperidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 95846220
(3aS,6aR)-2-(3,3-dimethylbutyl)-5-[[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 165095702
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-2-amine
CID 62284394
[6-(4-propylpiperazin-1-yl)pyridazin-3-yl]methanamine
CID 55054734
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine
CID 61255944
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine (CID 158286096) is 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine is CC(C)(C)CCN1C[C@H]2CC(Cc3ccc(N4CCOCC4)nn3)C[C@H]2C1.
What is the InChIKey of 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine?
The InChIKey is GKULVVUAFUCEGP-YQQQUEKLSA-N. The full InChI is InChI=1S/C22H36N4O/c1-22(2,3)6-7-25-15-18-12-17(13-19(18)16-25)14-20-4-5-21(24-23-20)26-8-10-27-11-9-26/h4-5,17-19H,6-16H2,1-3H3/t17?,18-,19+.
What are the key properties of 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine?
4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine has a molecular weight of 372.56 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(3aS,6aR)-2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 158286096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).