2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane

C16H30N4 — CID 130337145

IUPAC2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane
SMILESCN1C[C@@H]2NCC[C@]2(CCN2CC3(CCCNC3)C2)C1
InChIInChI=1S/C16H30N4/c1-19-9-14-16(13-19,4-7-18-14)5-8-20-11-15(12-20)3-2-6-17-10-15/h14,17-18H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeyFABXXGYDJNNANY-HOCLYGCPSA-N
MW278.44 g/mol
LogP0.36
Rot. Bonds3

About 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane

2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane (PubChem CID 130337145) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane
PubChem CID130337145
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane
SMILESCN1C[C@@H]2NCC[C@]2(CCN2CC3(CCCNC3)C2)C1
InChIInChI=1S/C16H30N4/c1-19-9-14-16(13-19,4-7-18-14)5-8-20-11-15(12-20)3-2-6-17-10-15/h14,17-18H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeyFABXXGYDJNNANY-HOCLYGCPSA-N
XLogP0.36
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane (CID 130337145) is 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane is CN1C[C@@H]2NCC[C@]2(CCN2CC3(CCCNC3)C2)C1.
What is the InChIKey of 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane?
The InChIKey is FABXXGYDJNNANY-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H30N4/c1-19-9-14-16(13-19,4-7-18-14)5-8-20-11-15(12-20)3-2-6-17-10-15/h14,17-18H,2-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane?
2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane has a molecular weight of 278.44 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-3a-yl]ethyl]-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 130337145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).