1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine

C12H21N3 — CID 115673834

IUPAC1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCn1cc(CNC2(CC)CCC2)cn1
InChIInChI=1S/C12H21N3/c1-3-12(6-5-7-12)13-8-11-9-14-15(4-2)10-11/h9-10,13H,3-8H2,1-2H3
InChIKeyHUBZSTCRADKESU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds5

About 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine

1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 115673834) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID115673834
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCn1cc(CNC2(CC)CCC2)cn1
InChIInChI=1S/C12H21N3/c1-3-12(6-5-7-12)13-8-11-9-14-15(4-2)10-11/h9-10,13H,3-8H2,1-2H3
InChIKeyHUBZSTCRADKESU-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 103724220
N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
[1-[[(1-ethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479607
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 113359893
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83013968
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
1-(1-ethylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957579

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine (CID 115673834) is 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine is CCn1cc(CNC2(CC)CCC2)cn1.
What is the InChIKey of 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is HUBZSTCRADKESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-12(6-5-7-12)13-8-11-9-14-15(4-2)10-11/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine?
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115673834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).