3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

C12H21N3O — CID 64689147

IUPAC3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2cn[nH]c2)C1(C)C
InChIInChI=1S/C12H21N3O/c1-4-16-11-5-10(12(11,2)3)13-6-9-7-14-15-8-9/h7-8,10-11,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyIVCKLRGVTVHRLT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.70
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 64689147) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID64689147
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2cn[nH]c2)C1(C)C
InChIInChI=1S/C12H21N3O/c1-4-16-11-5-10(12(11,2)3)13-6-9-7-14-15-8-9/h7-8,10-11,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyIVCKLRGVTVHRLT-UHFFFAOYSA-N
XLogP1.70
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.70
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-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (CID 64689147) is 3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is CCOC1CC(NCc2cn[nH]c2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is IVCKLRGVTVHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-16-11-5-10(12(11,2)3)13-6-9-7-14-15-8-9/h7-8,10-11,13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.70, 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-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 64689147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).