7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine

C14H22N2 — CID 122524993

IUPAC7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine
SMILESCC1(C)CCCCCc2nccnc2CC1
InChIInChI=1S/C14H22N2/c1-14(2)8-5-3-4-6-12-13(7-9-14)16-11-10-15-12/h10-11H,3-9H2,1-2H3
InChIKeyRPDIXSLJYBVUTF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.55
Rot. Bonds

About 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine

7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine (PubChem CID 122524993) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine.

Molecular Properties

Compound Name7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine
PubChem CID122524993
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine
SMILESCC1(C)CCCCCc2nccnc2CC1
InChIInChI=1S/C14H22N2/c1-14(2)8-5-3-4-6-12-13(7-9-14)16-11-10-15-12/h10-11H,3-9H2,1-2H3
InChIKeyRPDIXSLJYBVUTF-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine?
The IUPAC name of 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine (CID 122524993) is 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine.
What is the SMILES notation for 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine?
The canonical SMILES for 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine is CC1(C)CCCCCc2nccnc2CC1.
What is the InChIKey of 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine?
The InChIKey is RPDIXSLJYBVUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2)8-5-3-4-6-12-13(7-9-14)16-11-10-15-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine?
7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine has a molecular weight of 218.34 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6,8,9,10,11,12-hexahydro-5H-cyclodeca[b]pyrazine is sourced from PubChem (CID 122524993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).