[2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine

C13H20FN3O — CID 103170402

IUPAC[2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
SMILESCCOC1CC(CC(NN)c2cncc(F)c2)C1
InChIInChI=1S/C13H20FN3O/c1-2-18-12-3-9(4-12)5-13(17-15)10-6-11(14)8-16-7-10/h6-9,12-13,17H,2-5,15H2,1H3
InChIKeyYUMIFXGMRULCNF-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.93
Rot. Bonds6

About [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine

[2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine (PubChem CID 103170402) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
PubChem CID103170402
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name[2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
SMILESCCOC1CC(CC(NN)c2cncc(F)c2)C1
InChIInChI=1S/C13H20FN3O/c1-2-18-12-3-9(4-12)5-13(17-15)10-6-11(14)8-16-7-10/h6-9,12-13,17H,2-5,15H2,1H3
InChIKeyYUMIFXGMRULCNF-UHFFFAOYSA-N
XLogP1.93
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
[1-(3-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170410
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158
N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115804158
[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322812
[1-(5-fluoro-3-pyridinyl)-3-methoxypropyl]hydrazine
CID 105206466
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
N,N-diethyl-3-(5-fluoro-3-pyridinyl)-3-hydrazinylpropan-1-amine
CID 105244160
[2-(3-ethoxycyclobutyl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethyl]hydrazine
CID 112745753
[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 103170881

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine (CID 103170402) is [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine is CCOC1CC(CC(NN)c2cncc(F)c2)C1.
What is the InChIKey of [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine?
The InChIKey is YUMIFXGMRULCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-2-18-12-3-9(4-12)5-13(17-15)10-6-11(14)8-16-7-10/h6-9,12-13,17H,2-5,15H2,1H3.
What are the key properties of [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine?
[2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine has a molecular weight of 253.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 103170402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).