(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

C9H18N2 — CID 66800001

IUPAC(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESCC1(C)CN[C@H]2CCC[C@@H]2N1
InChIInChI=1S/C9H18N2/c1-9(2)6-10-7-4-3-5-8(7)11-9/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyZWGKXIAAHGDBKL-YUMQZZPRSA-N
MW154.26 g/mol
LogP0.88
Rot. Bonds

About (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (PubChem CID 66800001) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.

Molecular Properties

Compound Name(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
PubChem CID66800001
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESCC1(C)CN[C@H]2CCC[C@@H]2N1
InChIInChI=1S/C9H18N2/c1-9(2)6-10-7-4-3-5-8(7)11-9/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyZWGKXIAAHGDBKL-YUMQZZPRSA-N
XLogP0.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The IUPAC name of (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (CID 66800001) is (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.
What is the SMILES notation for (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The canonical SMILES for (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is CC1(C)CN[C@H]2CCC[C@@H]2N1.
What is the InChIKey of (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The InChIKey is ZWGKXIAAHGDBKL-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2)6-10-7-4-3-5-8(7)11-9/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine has a molecular weight of 154.26 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is sourced from PubChem (CID 66800001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).