ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine

C20H37N3 — CID 161329033

IUPACethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
SMILESC.CC.CC.CC(C)c1cccnc1.CC(C)c1cnccn1
InChIInChI=1S/C8H11N.C7H10N2.2C2H6.CH4/c1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;2*1-2;/h3-7H,1-2H3;3-6H,1-2H3;2*1-2H3;1H4
InChIKeyVLDZUIUSSXHZPR-UHFFFAOYSA-N
MW319.54 g/mol
LogP6.49
Rot. Bonds2

About ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine

ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine (PubChem CID 161329033) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
PubChem CID161329033
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Nameethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
SMILESC.CC.CC.CC(C)c1cccnc1.CC(C)c1cnccn1
InChIInChI=1S/C8H11N.C7H10N2.2C2H6.CH4/c1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;2*1-2;/h3-7H,1-2H3;3-6H,1-2H3;2*1-2H3;1H4
InChIKeyVLDZUIUSSXHZPR-UHFFFAOYSA-N
XLogP6.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159892681
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine
CID 159400797
ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159280062
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine?
The IUPAC name of ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine (CID 161329033) is ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine.
What is the SMILES notation for ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine?
The canonical SMILES for ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine is C.CC.CC.CC(C)c1cccnc1.CC(C)c1cnccn1.
What is the InChIKey of ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine?
The InChIKey is VLDZUIUSSXHZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H10N2.2C2H6.CH4/c1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;2*1-2;/h3-7H,1-2H3;3-6H,1-2H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine?
ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine has a molecular weight of 319.54 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine is sourced from PubChem (CID 161329033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).