2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine

C11H21N3O — CID 65051134

IUPAC2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine
SMILESCCC(CC)(CN)OCCn1cccn1
InChIInChI=1S/C11H21N3O/c1-3-11(4-2,10-12)15-9-8-14-7-5-6-13-14/h5-7H,3-4,8-10,12H2,1-2H3
InChIKeyFATLSHSJGJECBJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds7

About 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine

2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine (PubChem CID 65051134) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine
PubChem CID65051134
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine
SMILESCCC(CC)(CN)OCCn1cccn1
InChIInChI=1S/C11H21N3O/c1-3-11(4-2,10-12)15-9-8-14-7-5-6-13-14/h5-7H,3-4,8-10,12H2,1-2H3
InChIKeyFATLSHSJGJECBJ-UHFFFAOYSA-N
XLogP1.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(3-imidazol-1-ylpropoxy)butan-1-amine
CID 65050699
N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride
CID 119928890
1-(4-fluorobutyl)pyrazole
CID 89149244
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine
CID 65050468
3-pyrazol-1-ylpropyl 4-tert-butylbenzoate
CID 86900951
3-(2-pyrazol-1-ylethoxy)pyridin-2-amine
CID 61491639
1-(4,4-dimethylhexyl)pyrazole
CID 166788525
1-O-methyl 4-O-(2-pyrazol-1-ylethyl) but-2-enedioate
CID 123418072
1-[(3S)-4-fluoro-3-methoxybutyl]pyrazole
CID 134462774
[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 54962092
2-pyrazol-1-ylethyl 3-amino-4-ethoxybenzoate
CID 61494765

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine?
The IUPAC name of 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine (CID 65051134) is 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine is CCC(CC)(CN)OCCn1cccn1.
What is the InChIKey of 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine?
The InChIKey is FATLSHSJGJECBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-11(4-2,10-12)15-9-8-14-7-5-6-13-14/h5-7H,3-4,8-10,12H2,1-2H3.
What are the key properties of 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine?
2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-pyrazol-1-ylethoxy)butan-1-amine is sourced from PubChem (CID 65051134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).