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

C17H28N4 — CID 105261327

IUPAC[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
SMILESCN1CCCN(C)C(C(CC2Cc3ccccc32)NN)C1
InChIInChI=1S/C17H28N4/c1-20-8-5-9-21(2)17(12-20)16(19-18)11-14-10-13-6-3-4-7-15(13)14/h3-4,6-7,14,16-17,19H,5,8-12,18H2,1-2H3
InChIKeyBUNYZRWOOLRMTB-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.18
Rot. Bonds4

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

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine (PubChem CID 105261327) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
PubChem CID105261327
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
SMILESCN1CCCN(C)C(C(CC2Cc3ccccc32)NN)C1
InChIInChI=1S/C17H28N4/c1-20-8-5-9-21(2)17(12-20)16(19-18)11-14-10-13-6-3-4-7-15(13)14/h3-4,6-7,14,16-17,19H,5,8-12,18H2,1-2H3
InChIKeyBUNYZRWOOLRMTB-UHFFFAOYSA-N
XLogP1.18
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.18
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

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658822
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-cyclobutylethyl]hydrazine
CID 105224519
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropylethyl]hydrazine
CID 105202555
[2-(2,6-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 105261363
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
1-(1,4-dimethyl-1,4-diazepan-2-yl)pentylhydrazine
CID 105261145
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262764
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105263001
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105261332
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine
CID 105191501
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-methylhexyl]hydrazine
CID 105261254

Frequently Asked Questions

What is the IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine (CID 105261327) is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine is CN1CCCN(C)C(C(CC2Cc3ccccc32)NN)C1.
What is the InChIKey of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
The InChIKey is BUNYZRWOOLRMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-20-8-5-9-21(2)17(12-20)16(19-18)11-14-10-13-6-3-4-7-15(13)14/h3-4,6-7,14,16-17,19H,5,8-12,18H2,1-2H3.
What are the key properties of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine?
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine has a molecular weight of 288.44 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105261327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).