[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine

C17H27N3O — CID 105240192

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(CC1Cc2ccccc21)NN)N1CCOCC1
InChIInChI=1S/C17H27N3O/c1-17(2,20-7-9-21-10-8-20)16(19-18)12-14-11-13-5-3-4-6-15(13)14/h3-6,14,16,19H,7-12,18H2,1-2H3
InChIKeyRDZWNMVGKOMEIF-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.66
Rot. Bonds5

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine (PubChem CID 105240192) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
PubChem CID105240192
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(CC1Cc2ccccc21)NN)N1CCOCC1
InChIInChI=1S/C17H27N3O/c1-17(2,20-7-9-21-10-8-20)16(19-18)12-14-11-13-5-3-4-6-15(13)14/h3-6,14,16,19H,7-12,18H2,1-2H3
InChIKeyRDZWNMVGKOMEIF-UHFFFAOYSA-N
XLogP1.66
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine (CID 105240192) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine is CC(C)(C(CC1Cc2ccccc21)NN)N1CCOCC1.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine?
The InChIKey is RDZWNMVGKOMEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,20-7-9-21-10-8-20)16(19-18)12-14-11-13-5-3-4-6-15(13)14/h3-6,14,16,19H,7-12,18H2,1-2H3.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine has a molecular weight of 289.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105240192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).