tert-butyl(1-chloropropyl)diazene

C7H15ClN2 — CID 15264506

IUPACtert-butyl(1-chloropropyl)diazene
SMILESCCC(Cl)/N=N/C(C)(C)C
InChIInChI=1S/C7H15ClN2/c1-5-6(8)9-10-7(2,3)4/h6H,5H2,1-4H3/b10-9+
InChIKeyZAHVCKGOUULOCW-MDZDMXLPSA-N
MW162.66 g/mol
LogP3.21
Rot. Bonds2

About tert-butyl(1-chloropropyl)diazene

tert-butyl(1-chloropropyl)diazene (PubChem CID 15264506) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is tert-butyl(1-chloropropyl)diazene.

Molecular Properties

Compound Nametert-butyl(1-chloropropyl)diazene
PubChem CID15264506
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Nametert-butyl(1-chloropropyl)diazene
SMILESCCC(Cl)/N=N/C(C)(C)C
InChIInChI=1S/C7H15ClN2/c1-5-6(8)9-10-7(2,3)4/h6H,5H2,1-4H3/b10-9+
InChIKeyZAHVCKGOUULOCW-MDZDMXLPSA-N
XLogP3.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,2-dimethylpentane
CID 13351497
ditert-butyldiazene;dihydrochloride
CID 172805656
tert-butyl-(2-chloro-4-methylpentyl)diazene
CID 21486294
1,1,1,3-tetrachloropentane
CID 13227610
1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane
CID 167651170
1,2-dichloroethyl(methyl)diazene
CID 57050745
3-(chloromethyl)-5-ethyl-2,2-dimethylheptane
CID 83138682
3-bromo-1,1,1-trichloropentane
CID 119096269
2,4-dichloro-2-methylhexane
CID 15570353
3-ethyl-2,2-dimethylheptane
CID 20686447
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
3-tert-butyl-4-ethyl-2,2-dimethylhexane
CID 57493156

Frequently Asked Questions

What is the IUPAC name of tert-butyl(1-chloropropyl)diazene?
The IUPAC name of tert-butyl(1-chloropropyl)diazene (CID 15264506) is tert-butyl(1-chloropropyl)diazene.
What is the SMILES notation for tert-butyl(1-chloropropyl)diazene?
The canonical SMILES for tert-butyl(1-chloropropyl)diazene is CCC(Cl)/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl(1-chloropropyl)diazene?
The InChIKey is ZAHVCKGOUULOCW-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H15ClN2/c1-5-6(8)9-10-7(2,3)4/h6H,5H2,1-4H3/b10-9+.
What are the key properties of tert-butyl(1-chloropropyl)diazene?
tert-butyl(1-chloropropyl)diazene has a molecular weight of 162.66 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(1-chloropropyl)diazene is sourced from PubChem (CID 15264506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).