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

C9H19ClN2 — CID 21387110

IUPAC2-chloropropan-2-yl(4-methylpentan-2-yl)diazene
SMILESCC(C)CC(C)/N=N/C(C)(C)Cl
InChIInChI=1S/C9H19ClN2/c1-7(2)6-8(3)11-12-9(4,5)10/h7-8H,6H2,1-5H3/b12-11+
InChIKeyLRWXULQIECXLQU-VAWYXSNFSA-N
MW190.72 g/mol
LogP3.85
Rot. Bonds4

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

2-chloropropan-2-yl(4-methylpentan-2-yl)diazene (PubChem CID 21387110) has the molecular formula C9H19ClN2 and a molecular weight of 190.72 g/mol. Its IUPAC name is 2-chloropropan-2-yl(4-methylpentan-2-yl)diazene.

Molecular Properties

Compound Name2-chloropropan-2-yl(4-methylpentan-2-yl)diazene
PubChem CID21387110
Molecular FormulaC9H19ClN2
Molecular Weight190.72 g/mol
Exact Mass190.12
IUPAC Name2-chloropropan-2-yl(4-methylpentan-2-yl)diazene
SMILESCC(C)CC(C)/N=N/C(C)(C)Cl
InChIInChI=1S/C9H19ClN2/c1-7(2)6-8(3)11-12-9(4,5)10/h7-8H,6H2,1-5H3/b12-11+
InChIKeyLRWXULQIECXLQU-VAWYXSNFSA-N
XLogP3.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.72
LogP ≤ 53.85
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-chloropropan-2-yl(4-methylpentan-2-yl)diazene?
The IUPAC name of 2-chloropropan-2-yl(4-methylpentan-2-yl)diazene (CID 21387110) is 2-chloropropan-2-yl(4-methylpentan-2-yl)diazene.
What is the SMILES notation for 2-chloropropan-2-yl(4-methylpentan-2-yl)diazene?
The canonical SMILES for 2-chloropropan-2-yl(4-methylpentan-2-yl)diazene is CC(C)CC(C)/N=N/C(C)(C)Cl.
What is the InChIKey of 2-chloropropan-2-yl(4-methylpentan-2-yl)diazene?
The InChIKey is LRWXULQIECXLQU-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H19ClN2/c1-7(2)6-8(3)11-12-9(4,5)10/h7-8H,6H2,1-5H3/b12-11+.
What are the key properties of 2-chloropropan-2-yl(4-methylpentan-2-yl)diazene?
2-chloropropan-2-yl(4-methylpentan-2-yl)diazene has a molecular weight of 190.72 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropan-2-yl(4-methylpentan-2-yl)diazene is sourced from PubChem (CID 21387110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).