tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene

C10H21ClN2 — CID 14315819

IUPACtert-butyl-(5-chloro-2-methylpentan-2-yl)diazene
SMILESCC(C)(C)/N=N/C(C)(C)CCCCl
InChIInChI=1S/C10H21ClN2/c1-9(2,3)12-13-10(4,5)7-6-8-11/h6-8H2,1-5H3/b13-12+
InChIKeyYTOGGNRNLKYRNW-OUKQBFOZSA-N
MW204.74 g/mol
LogP4.03
Rot. Bonds4

About tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene

tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene (PubChem CID 14315819) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene.

Molecular Properties

Compound Nametert-butyl-(5-chloro-2-methylpentan-2-yl)diazene
PubChem CID14315819
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Nametert-butyl-(5-chloro-2-methylpentan-2-yl)diazene
SMILESCC(C)(C)/N=N/C(C)(C)CCCCl
InChIInChI=1S/C10H21ClN2/c1-9(2,3)12-13-10(4,5)7-6-8-11/h6-8H2,1-5H3/b13-12+
InChIKeyYTOGGNRNLKYRNW-OUKQBFOZSA-N
XLogP4.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 54.03
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene?
The IUPAC name of tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene (CID 14315819) is tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene.
What is the SMILES notation for tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene?
The canonical SMILES for tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene is CC(C)(C)/N=N/C(C)(C)CCCCl.
What is the InChIKey of tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene?
The InChIKey is YTOGGNRNLKYRNW-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H21ClN2/c1-9(2,3)12-13-10(4,5)7-6-8-11/h6-8H2,1-5H3/b13-12+.
What are the key properties of tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene?
tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene has a molecular weight of 204.74 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene is sourced from PubChem (CID 14315819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).