1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine

C14H28N2 — CID 168845946

IUPAC1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)CCN1C
InChIInChI=1S/C14H28N2/c1-10(2)13-14(11(3)4)16(12(5)6)9-8-15(13)7/h10-12H,8-9H2,1-7H3
InChIKeyGAHSHODDBLXZJI-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.17
Rot. Bonds3

About 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine

1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine (PubChem CID 168845946) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine.

Molecular Properties

Compound Name1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine
PubChem CID168845946
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)CCN1C
InChIInChI=1S/C14H28N2/c1-10(2)13-14(11(3)4)16(12(5)6)9-8-15(13)7/h10-12H,8-9H2,1-7H3
InChIKeyGAHSHODDBLXZJI-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine?
The IUPAC name of 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine (CID 168845946) is 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine.
What is the SMILES notation for 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine?
The canonical SMILES for 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine is CC(C)C1=C(C(C)C)N(C(C)C)CCN1C.
What is the InChIKey of 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine?
The InChIKey is GAHSHODDBLXZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-10(2)13-14(11(3)4)16(12(5)6)9-8-15(13)7/h10-12H,8-9H2,1-7H3.
What are the key properties of 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine?
1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine has a molecular weight of 224.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,6-tri(propan-2-yl)-2,3-dihydropyrazine is sourced from PubChem (CID 168845946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).