ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine

C13H27N3 — CID 142187788

IUPACethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine
SMILESC=C1CN(C)C2CN(CC)CCC2N1.CC
InChIInChI=1S/C11H21N3.C2H6/c1-4-14-6-5-10-11(8-14)13(3)7-9(2)12-10;1-2/h10-12H,2,4-8H2,1,3H3;1-2H3
InChIKeyPMHQNJNWYUUPFO-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.52
Rot. Bonds1

About ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine

ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine (PubChem CID 142187788) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Nameethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine
PubChem CID142187788
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Nameethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine
SMILESC=C1CN(C)C2CN(CC)CCC2N1.CC
InChIInChI=1S/C11H21N3.C2H6/c1-4-14-6-5-10-11(8-14)13(3)7-9(2)12-10;1-2/h10-12H,2,4-8H2,1,3H3;1-2H3
InChIKeyPMHQNJNWYUUPFO-UHFFFAOYSA-N
XLogP1.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine?
The IUPAC name of ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine (CID 142187788) is ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine.
What is the SMILES notation for ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine?
The canonical SMILES for ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine is C=C1CN(C)C2CN(CC)CCC2N1.CC.
What is the InChIKey of ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine?
The InChIKey is PMHQNJNWYUUPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.C2H6/c1-4-14-6-5-10-11(8-14)13(3)7-9(2)12-10;1-2/h10-12H,2,4-8H2,1,3H3;1-2H3.
What are the key properties of ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine?
ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine has a molecular weight of 225.38 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine is sourced from PubChem (CID 142187788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).