1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine

C16H28N4O — CID 120858440

IUPAC1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine
SMILESCC(C)c1noc([C@@]23CCC[C@@H]2CN(CC(C)(C)N)C3)n1
InChIInChI=1S/C16H28N4O/c1-11(2)13-18-14(21-19-13)16-7-5-6-12(16)8-20(10-16)9-15(3,4)17/h11-12H,5-10,17H2,1-4H3/t12-,16-/m1/s1
InChIKeyGSDQNBGKPFFSDM-MLGOLLRUSA-N
MW292.43 g/mol
LogP2.28
Rot. Bonds4

About 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine

1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine (PubChem CID 120858440) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine
PubChem CID120858440
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine
SMILESCC(C)c1noc([C@@]23CCC[C@@H]2CN(CC(C)(C)N)C3)n1
InChIInChI=1S/C16H28N4O/c1-11(2)13-18-14(21-19-13)16-7-5-6-12(16)8-20(10-16)9-15(3,4)17/h11-12H,5-10,17H2,1-4H3/t12-,16-/m1/s1
InChIKeyGSDQNBGKPFFSDM-MLGOLLRUSA-N
XLogP2.28
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine (CID 120858440) is 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine is CC(C)c1noc([C@@]23CCC[C@@H]2CN(CC(C)(C)N)C3)n1.
What is the InChIKey of 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine?
The InChIKey is GSDQNBGKPFFSDM-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)13-18-14(21-19-13)16-7-5-6-12(16)8-20(10-16)9-15(3,4)17/h11-12H,5-10,17H2,1-4H3/t12-,16-/m1/s1.
What are the key properties of 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine?
1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 120858440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).