benzyl(3-phenylpropyl)diazene

C16H18N2 — CID 54485219

IUPACbenzyl(3-phenylpropyl)diazene
SMILESc1ccc(CCC/N=N/Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2/c1-3-8-15(9-4-1)12-7-13-17-18-14-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2/b18-17+
InChIKeyXRVCPUAJAPZQRR-ISLYRVAYSA-N
MW238.33 g/mol
LogP4.27
Rot. Bonds6

About benzyl(3-phenylpropyl)diazene

benzyl(3-phenylpropyl)diazene (PubChem CID 54485219) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is benzyl(3-phenylpropyl)diazene.

Molecular Properties

Compound Namebenzyl(3-phenylpropyl)diazene
PubChem CID54485219
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Namebenzyl(3-phenylpropyl)diazene
SMILESc1ccc(CCC/N=N/Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2/c1-3-8-15(9-4-1)12-7-13-17-18-14-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2/b18-17+
InChIKeyXRVCPUAJAPZQRR-ISLYRVAYSA-N
XLogP4.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-phenylbutylbenzene
CID 141301927
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
benzene;2-phenylethylbenzene
CID 18982764
butylbenzene
CID 91440396
4-nitrosobutylbenzene;hydrochloride
CID 175082883
zinc butylbenzene
CID 563257
benzene;3-phenylpropan-1-amine
CID 174865683
pentylbenzene
CID 91255123

Frequently Asked Questions

What is the IUPAC name of benzyl(3-phenylpropyl)diazene?
The IUPAC name of benzyl(3-phenylpropyl)diazene (CID 54485219) is benzyl(3-phenylpropyl)diazene.
What is the SMILES notation for benzyl(3-phenylpropyl)diazene?
The canonical SMILES for benzyl(3-phenylpropyl)diazene is c1ccc(CCC/N=N/Cc2ccccc2)cc1.
What is the InChIKey of benzyl(3-phenylpropyl)diazene?
The InChIKey is XRVCPUAJAPZQRR-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-8-15(9-4-1)12-7-13-17-18-14-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2/b18-17+.
What are the key properties of benzyl(3-phenylpropyl)diazene?
benzyl(3-phenylpropyl)diazene has a molecular weight of 238.33 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(3-phenylpropyl)diazene is sourced from PubChem (CID 54485219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).