3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine

C13H23N3O — CID 64688767

IUPAC3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cn[nH]c2C)C1(C)C
InChIInChI=1S/C13H23N3O/c1-5-17-12-6-11(13(12,3)4)14-7-10-8-15-16-9(10)2/h8,11-12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeySVGOVTYVVLSBHH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.01
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 64688767) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID64688767
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cn[nH]c2C)C1(C)C
InChIInChI=1S/C13H23N3O/c1-5-17-12-6-11(13(12,3)4)14-7-10-8-15-16-9(10)2/h8,11-12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeySVGOVTYVVLSBHH-UHFFFAOYSA-N
XLogP2.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine (CID 64688767) is 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2cn[nH]c2C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is SVGOVTYVVLSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-17-12-6-11(13(12,3)4)14-7-10-8-15-16-9(10)2/h8,11-12,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 64688767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).