2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene

C10H21ClN2 — CID 21387352

IUPAC2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene
SMILESCCC(C)(Cl)/N=N/C(C)CC(C)C
InChIInChI=1S/C10H21ClN2/c1-6-10(5,11)13-12-9(4)7-8(2)3/h8-9H,6-7H2,1-5H3/b13-12+
InChIKeyUFWPCHYGAIRWTQ-OUKQBFOZSA-N
MW204.74 g/mol
LogP4.24
Rot. Bonds5

About 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene

2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene (PubChem CID 21387352) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene.

Molecular Properties

Compound Name2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene
PubChem CID21387352
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Name2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene
SMILESCCC(C)(Cl)/N=N/C(C)CC(C)C
InChIInChI=1S/C10H21ClN2/c1-6-10(5,11)13-12-9(4)7-8(2)3/h8-9H,6-7H2,1-5H3/b13-12+
InChIKeyUFWPCHYGAIRWTQ-OUKQBFOZSA-N
XLogP4.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene?
The IUPAC name of 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene (CID 21387352) is 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene.
What is the SMILES notation for 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene?
The canonical SMILES for 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene is CCC(C)(Cl)/N=N/C(C)CC(C)C.
What is the InChIKey of 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene?
The InChIKey is UFWPCHYGAIRWTQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H21ClN2/c1-6-10(5,11)13-12-9(4)7-8(2)3/h8-9H,6-7H2,1-5H3/b13-12+.
What are the key properties of 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene?
2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene has a molecular weight of 204.74 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobutan-2-yl(4-methylpentan-2-yl)diazene is sourced from PubChem (CID 21387352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).