2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine

C14H25N3 — CID 81418267

IUPAC2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cnn(C)c2)C1(C)CC
InChIInChI=1S/C14H25N3/c1-5-7-15-13-8-12(14(13,3)6-2)11-9-16-17(4)10-11/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyIISIBPHXWVFFPE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.69
Rot. Bonds5

About 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine

2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine (PubChem CID 81418267) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine
PubChem CID81418267
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cnn(C)c2)C1(C)CC
InChIInChI=1S/C14H25N3/c1-5-7-15-13-8-12(14(13,3)6-2)11-9-16-17(4)10-11/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyIISIBPHXWVFFPE-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine
CID 116794315
2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine
CID 81418058
3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 81418332
2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine
CID 81415314
6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711481
6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710798
2,2-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
CID 81418143
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
N,2-diethyl-2-methyl-3-pyrazin-2-ylcyclobutan-1-amine
CID 81417531
N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine
CID 62604588
3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81416793
N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
CID 81417219

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine (CID 81418267) is 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine is CCCNC1CC(c2cnn(C)c2)C1(C)CC.
What is the InChIKey of 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine?
The InChIKey is IISIBPHXWVFFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-7-15-13-8-12(14(13,3)6-2)11-9-16-17(4)10-11/h9-10,12-13,15H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine?
2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81418267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).