2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane

C34H74N6 — CID 157321219

IUPAC2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane
SMILESC.C.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCN2CCCCC2C1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2.C11H22N2.C9H20N2.2CH4/c1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-9(2,3)11-7-5-10(4)6-8-11;;/h11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;5-8H2,1-4H3;2*1H4
InChIKeyBEENMPFYSLRGIM-UHFFFAOYSA-N
MW567.01 g/mol
LogP5.82
Rot. Bonds

About 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane

2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane (PubChem CID 157321219) has the molecular formula C34H74N6 and a molecular weight of 567.01 g/mol. Its IUPAC name is 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane.

Molecular Properties

Compound Name2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane
PubChem CID157321219
Molecular FormulaC34H74N6
Molecular Weight567.01 g/mol
Exact Mass566.60
IUPAC Name2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane
SMILESC.C.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCN2CCCCC2C1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2.C11H22N2.C9H20N2.2CH4/c1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-9(2,3)11-7-5-10(4)6-8-11;;/h11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;5-8H2,1-4H3;2*1H4
InChIKeyBEENMPFYSLRGIM-UHFFFAOYSA-N
XLogP5.82
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.01
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane?
The IUPAC name of 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane (CID 157321219) is 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane.
What is the SMILES notation for 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane?
The canonical SMILES for 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane is C.C.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCN2CCCCC2C1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane?
The InChIKey is BEENMPFYSLRGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H22N2.C9H20N2.2CH4/c1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-9(2,3)11-7-5-10(4)6-8-11;;/h11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;5-8H2,1-4H3;2*1H4.
What are the key properties of 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane?
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane has a molecular weight of 567.01 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-tert-butyl-4-methylpiperazine;methane is sourced from PubChem (CID 157321219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).