di(pentan-3-yl)diazene

C10H22N2 — CID 14048839

IUPACdi(pentan-3-yl)diazene
SMILESCCC(CC)/N=N/C(CC)CC
InChIInChI=1S/C10H22N2/c1-5-9(6-2)11-12-10(7-3)8-4/h9-10H,5-8H2,1-4H3/b12-11+
InChIKeyNRHARCIVQKHHFO-VAWYXSNFSA-N
MW170.30 g/mol
LogP3.82
Rot. Bonds6

About di(pentan-3-yl)diazene

di(pentan-3-yl)diazene (PubChem CID 14048839) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is di(pentan-3-yl)diazene.

Molecular Properties

Compound Namedi(pentan-3-yl)diazene
PubChem CID14048839
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Namedi(pentan-3-yl)diazene
SMILESCCC(CC)/N=N/C(CC)CC
InChIInChI=1S/C10H22N2/c1-5-9(6-2)11-12-10(7-3)8-4/h9-10H,5-8H2,1-4H3/b12-11+
InChIKeyNRHARCIVQKHHFO-VAWYXSNFSA-N
XLogP3.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of di(pentan-3-yl)diazene?
The IUPAC name of di(pentan-3-yl)diazene (CID 14048839) is di(pentan-3-yl)diazene.
What is the SMILES notation for di(pentan-3-yl)diazene?
The canonical SMILES for di(pentan-3-yl)diazene is CCC(CC)/N=N/C(CC)CC.
What is the InChIKey of di(pentan-3-yl)diazene?
The InChIKey is NRHARCIVQKHHFO-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-9(6-2)11-12-10(7-3)8-4/h9-10H,5-8H2,1-4H3/b12-11+.
What are the key properties of di(pentan-3-yl)diazene?
di(pentan-3-yl)diazene has a molecular weight of 170.30 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(pentan-3-yl)diazene is sourced from PubChem (CID 14048839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).