2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol

C13H21N3O — CID 165345257

IUPAC2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol
SMILESCc1nccnc1C(C)NC1CC(O)C1(C)C
InChIInChI=1S/C13H21N3O/c1-8-12(15-6-5-14-8)9(2)16-10-7-11(17)13(10,3)4/h5-6,9-11,16-17H,7H2,1-4H3
InChIKeyLHYFNOSMMZIYLJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.60
Rot. Bonds3

About 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol

2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol (PubChem CID 165345257) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol
PubChem CID165345257
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol
SMILESCc1nccnc1C(C)NC1CC(O)C1(C)C
InChIInChI=1S/C13H21N3O/c1-8-12(15-6-5-14-8)9(2)16-10-7-11(17)13(10,3)4/h5-6,9-11,16-17H,7H2,1-4H3
InChIKeyLHYFNOSMMZIYLJ-UHFFFAOYSA-N
XLogP1.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol (CID 165345257) is 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol is Cc1nccnc1C(C)NC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol?
The InChIKey is LHYFNOSMMZIYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8-12(15-6-5-14-8)9(2)16-10-7-11(17)13(10,3)4/h5-6,9-11,16-17H,7H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(3-methylpyrazin-2-yl)ethylamino]cyclobutan-1-ol is sourced from PubChem (CID 165345257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).