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

C18H22N2 — CID 105205768

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine
SMILESNNC(CCc1ccccc1)CC1Cc2ccccc21
InChIInChI=1S/C18H22N2/c19-20-17(11-10-14-6-2-1-3-7-14)13-16-12-15-8-4-5-9-18(15)16/h1-9,16-17,20H,10-13,19H2
InChIKeyQCYIIEYJTUFJTF-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.18
Rot. Bonds6

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

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine (PubChem CID 105205768) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine
PubChem CID105205768
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine
SMILESNNC(CCc1ccccc1)CC1Cc2ccccc21
InChIInChI=1S/C18H22N2/c19-20-17(11-10-14-6-2-1-3-7-14)13-16-12-15-8-4-5-9-18(15)16/h1-9,16-17,20H,10-13,19H2
InChIKeyQCYIIEYJTUFJTF-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine
CID 105191501
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105319294
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)nonan-2-ylhydrazine
CID 105319320
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198387
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212720
(1-cyclohexyl-4-phenylbutan-2-yl)hydrazine
CID 105205647
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxypentan-2-yl]hydrazine
CID 105267173
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105210904
[1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105195209
1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropylethyl]hydrazine
CID 105202555

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine (CID 105205768) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine is NNC(CCc1ccccc1)CC1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine?
The InChIKey is QCYIIEYJTUFJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-20-17(11-10-14-6-2-1-3-7-14)13-16-12-15-8-4-5-9-18(15)16/h1-9,16-17,20H,10-13,19H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine has a molecular weight of 266.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine is sourced from PubChem (CID 105205768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).