3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine

C11H18N4O — CID 83062815

IUPAC3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1nccnc1C
InChIInChI=1S/C11H18N4O/c1-3-16-9-6-8(12)10(9)15-11-7(2)13-4-5-14-11/h4-5,8-10H,3,6,12H2,1-2H3,(H,14,15)
InChIKeyJNRWBSBIXAAKCC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.70
Rot. Bonds4

About 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine

3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine (PubChem CID 83062815) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine
PubChem CID83062815
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1nccnc1C
InChIInChI=1S/C11H18N4O/c1-3-16-9-6-8(12)10(9)15-11-7(2)13-4-5-14-11/h4-5,8-10H,3,6,12H2,1-2H3,(H,14,15)
InChIKeyJNRWBSBIXAAKCC-UHFFFAOYSA-N
XLogP0.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine (CID 83062815) is 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine is CCOC1CC(N)C1Nc1nccnc1C.
What is the InChIKey of 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine?
The InChIKey is JNRWBSBIXAAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-16-9-6-8(12)10(9)15-11-7(2)13-4-5-14-11/h4-5,8-10H,3,6,12H2,1-2H3,(H,14,15).
What are the key properties of 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine?
3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N-(3-methylpyrazin-2-yl)cyclobutane-1,2-diamine is sourced from PubChem (CID 83062815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).