1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine

C9H18N2 — CID 45099404

IUPAC1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine
SMILESCN1CCN(C)C2CCCC21
InChIInChI=1S/C9H18N2/c1-10-6-7-11(2)9-5-3-4-8(9)10/h8-9H,3-7H2,1-2H3
InChIKeyRRPRGGRVGDTZHP-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.78
Rot. Bonds

About 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine

1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine (PubChem CID 45099404) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine.

Molecular Properties

Compound Name1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine
PubChem CID45099404
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine
SMILESCN1CCN(C)C2CCCC21
InChIInChI=1S/C9H18N2/c1-10-6-7-11(2)9-5-3-4-8(9)10/h8-9H,3-7H2,1-2H3
InChIKeyRRPRGGRVGDTZHP-UHFFFAOYSA-N
XLogP0.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine?
The IUPAC name of 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine (CID 45099404) is 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine.
What is the SMILES notation for 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine?
The canonical SMILES for 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine is CN1CCN(C)C2CCCC21.
What is the InChIKey of 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine?
The InChIKey is RRPRGGRVGDTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-10-6-7-11(2)9-5-3-4-8(9)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine?
1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine has a molecular weight of 154.26 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine is sourced from PubChem (CID 45099404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).