azepan-1-yl(phenyl)diazene

C12H17N3 — CID 15497245

IUPACazepan-1-yl(phenyl)diazene
SMILESc1ccc(/N=N/N2CCCCCC2)cc1
InChIInChI=1S/C12H17N3/c1-2-7-11-15(10-6-1)14-13-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2/b14-13+
InChIKeyCLDIDPGYJHBBJA-BUHFOSPRSA-N
MW203.29 g/mol
LogP3.56
Rot. Bonds2

About azepan-1-yl(phenyl)diazene

azepan-1-yl(phenyl)diazene (PubChem CID 15497245) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is azepan-1-yl(phenyl)diazene.

Molecular Properties

Compound Nameazepan-1-yl(phenyl)diazene
PubChem CID15497245
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Nameazepan-1-yl(phenyl)diazene
SMILESc1ccc(/N=N/N2CCCCCC2)cc1
InChIInChI=1S/C12H17N3/c1-2-7-11-15(10-6-1)14-13-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2/b14-13+
InChIKeyCLDIDPGYJHBBJA-BUHFOSPRSA-N
XLogP3.56
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(piperidin-1-yldiazenyl)benzoic acid
CID 799929
(4-methoxyphenyl)-piperidin-1-yldiazene
CID 12535070
potassium 4-(piperidin-1-yldiazenyl)benzoate
CID 23669602
(E)-3-[3-(piperidin-1-yldiazenyl)phenyl]prop-2-enoic acid
CID 799964
3,4-dihydro-1H-isoquinolin-2-yl(phenyl)diazene
CID 134983718
N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide
CID 21143703
phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
CID 19011238
dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate
CID 6514282
ethane;ethylbenzene;methyl(piperidin-1-yl)diazene
CID 159103920
diphenyldiazene;1,4,8,11-tetrazacyclotetradecane
CID 18938641
diphenyldiazene;hydrofluoride
CID 174857584
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(phenyl)diazene?
The IUPAC name of azepan-1-yl(phenyl)diazene (CID 15497245) is azepan-1-yl(phenyl)diazene.
What is the SMILES notation for azepan-1-yl(phenyl)diazene?
The canonical SMILES for azepan-1-yl(phenyl)diazene is c1ccc(/N=N/N2CCCCCC2)cc1.
What is the InChIKey of azepan-1-yl(phenyl)diazene?
The InChIKey is CLDIDPGYJHBBJA-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-7-11-15(10-6-1)14-13-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2/b14-13+.
What are the key properties of azepan-1-yl(phenyl)diazene?
azepan-1-yl(phenyl)diazene has a molecular weight of 203.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(phenyl)diazene is sourced from PubChem (CID 15497245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).