3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine

C14H25N3O — CID 103921783

IUPAC3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCn2cc(C)cn2)C1(C)C
InChIInChI=1S/C14H25N3O/c1-5-18-13-8-12(14(13,3)4)15-6-7-17-10-11(2)9-16-17/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyJQIVLAXHGSATLD-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.98
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine (PubChem CID 103921783) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine
PubChem CID103921783
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCn2cc(C)cn2)C1(C)C
InChIInChI=1S/C14H25N3O/c1-5-18-13-8-12(14(13,3)4)15-6-7-17-10-11(2)9-16-17/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyJQIVLAXHGSATLD-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103871913
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79763220
trans-(1R,3R)-3-ethoxy-2,2-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 97336063
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103578457
3-ethoxy-2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 103921823
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
CID 103699250
3-ethoxy-N-(2-pyrazol-1-ylethyl)spiro[3.3]heptan-1-amine
CID 65294666
3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
CID 114078092
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine (CID 103921783) is 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine is CCOC1CC(NCCn2cc(C)cn2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine?
The InChIKey is JQIVLAXHGSATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-18-13-8-12(14(13,3)4)15-6-7-17-10-11(2)9-16-17/h9-10,12-13,15H,5-8H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 103921783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).