[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine

C17H26N2O — CID 103170643

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
SMILESCCOC1CC(CC(CC2Cc3ccccc32)NN)C1
InChIInChI=1S/C17H26N2O/c1-2-20-16-8-12(9-16)7-15(19-18)11-14-10-13-5-3-4-6-17(13)14/h3-6,12,14-16,19H,2,7-11,18H2,1H3
InChIKeyTXOORQYKATVWNS-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.75
Rot. Bonds7

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine (PubChem CID 103170643) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
PubChem CID103170643
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
SMILESCCOC1CC(CC(CC2Cc3ccccc32)NN)C1
InChIInChI=1S/C17H26N2O/c1-2-20-16-8-12(9-16)7-15(19-18)11-14-10-13-5-3-4-6-17(13)14/h3-6,12,14-16,19H,2,7-11,18H2,1H3
InChIKeyTXOORQYKATVWNS-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(7-Bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151630
1-(3-Ethoxycyclobutyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 103169710
1-(3-Ethoxycyclobutyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 103169780
[1-(3-Ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 103170377
[2-(3-Ethoxycyclobutyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 103170379
[2-(3-Ethoxycyclobutyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 103170386
[1-(3-Ethoxycyclobutyl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 103170390
[1-(2,5-Difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170407
[1-(2,4-Difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170434
[2-(3-Ethoxycyclobutyl)-1-(2-fluorophenyl)ethyl]hydrazine
CID 103170438
[1-(2,3-Difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170477
[2-(3-Ethoxycyclobutyl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 103170507

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine (CID 103170643) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine is CCOC1CC(CC(CC2Cc3ccccc32)NN)C1.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
The InChIKey is TXOORQYKATVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-20-16-8-12(9-16)7-15(19-18)11-14-10-13-5-3-4-6-17(13)14/h3-6,12,14-16,19H,2,7-11,18H2,1H3.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine has a molecular weight of 274.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine is sourced from PubChem (CID 103170643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).