3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

C13H23N3O — CID 65167495

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2cn[nH]c2)C1(C)CC
InChIInChI=1S/C13H23N3O/c1-4-13(3)11(6-12(13)17-5-2)14-7-10-8-15-16-9-10/h8-9,11-12,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyIJXZBTQZBCCVSI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.09
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 65167495) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID65167495
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2cn[nH]c2)C1(C)CC
InChIInChI=1S/C13H23N3O/c1-4-13(3)11(6-12(13)17-5-2)14-7-10-8-15-16-9-10/h8-9,11-12,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyIJXZBTQZBCCVSI-UHFFFAOYSA-N
XLogP2.09
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (CID 65167495) is 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is CCOC1CC(NCc2cn[nH]c2)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is IJXZBTQZBCCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(3)11(6-12(13)17-5-2)14-7-10-8-15-16-9-10/h8-9,11-12,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 65167495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).