3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane]

C18H34N4 — CID 170392485

IUPAC3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane]
SMILESCC(C)(C)N1CC2CC3(CC(C)(C)N4CCNCC43)C(C1)N2
InChIInChI=1S/C18H34N4/c1-16(2,3)21-10-13-8-18(14(11-21)20-13)12-17(4,5)22-7-6-19-9-15(18)22/h13-15,19-20H,6-12H2,1-5H3
InChIKeyKHHCHEQEOFBTMV-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.27
Rot. Bonds

About 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane]

3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane] (PubChem CID 170392485) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane].

Molecular Properties

Compound Name3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane]
PubChem CID170392485
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane]
SMILESCC(C)(C)N1CC2CC3(CC(C)(C)N4CCNCC43)C(C1)N2
InChIInChI=1S/C18H34N4/c1-16(2,3)21-10-13-8-18(14(11-21)20-13)12-17(4,5)22-7-6-19-9-15(18)22/h13-15,19-20H,6-12H2,1-5H3
InChIKeyKHHCHEQEOFBTMV-UHFFFAOYSA-N
XLogP1.27
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane]?
The IUPAC name of 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane] (CID 170392485) is 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane].
What is the SMILES notation for 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane]?
The canonical SMILES for 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane] is CC(C)(C)N1CC2CC3(CC(C)(C)N4CCNCC43)C(C1)N2.
What is the InChIKey of 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane]?
The InChIKey is KHHCHEQEOFBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-16(2,3)21-10-13-8-18(14(11-21)20-13)12-17(4,5)22-7-6-19-9-15(18)22/h13-15,19-20H,6-12H2,1-5H3.
What are the key properties of 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane]?
3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane] has a molecular weight of 306.50 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-tert-butyl-6,6-dimethylspiro[1,2,3,4,7,8a-hexahydropyrrolo[1,2-a]pyrazine-8,6'-3,8-diazabicyclo[3.2.1]octane] is sourced from PubChem (CID 170392485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).