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

C17H28N2 — CID 105319335

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine
SMILESCCCCC(CC)C(CC1Cc2ccccc21)NN
InChIInChI=1S/C17H28N2/c1-3-5-8-13(4-2)17(19-18)12-15-11-14-9-6-7-10-16(14)15/h6-7,9-10,13,15,17,19H,3-5,8,11-12,18H2,1-2H3
InChIKeyJNYNLOCZVYYFNR-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.76
Rot. Bonds8

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

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine (PubChem CID 105319335) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine
PubChem CID105319335
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine
SMILESCCCCC(CC)C(CC1Cc2ccccc21)NN
InChIInChI=1S/C17H28N2/c1-3-5-8-13(4-2)17(19-18)12-15-11-14-9-6-7-10-16(14)15/h6-7,9-10,13,15,17,19H,3-5,8,11-12,18H2,1-2H3
InChIKeyJNYNLOCZVYYFNR-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.76
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'}

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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-yl]hydrazine
CID 105319265
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine
CID 79413170
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine
CID 105319366
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)propan-2-ylhydrazine
CID 105201338
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-ol
CID 115816723
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-N-propylhexan-2-amine
CID 105003712
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropylethyl]hydrazine
CID 105202555
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-pyrimidin-2-ylethyl]hydrazine
CID 105203771
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105219620
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methoxy-N-propylhexan-2-amine
CID 116719501

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine (CID 105319335) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine is CCCCC(CC)C(CC1Cc2ccccc21)NN.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine?
The InChIKey is JNYNLOCZVYYFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-5-8-13(4-2)17(19-18)12-15-11-14-9-6-7-10-16(14)15/h6-7,9-10,13,15,17,19H,3-5,8,11-12,18H2,1-2H3.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine has a molecular weight of 260.42 g/mol, XLogP of 3.76, 8 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)-3-ethylheptan-2-yl]hydrazine is sourced from PubChem (CID 105319335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).