butan-2-yl(propan-2-yl)diazene

C7H16N2 — CID 14048844

IUPACbutan-2-yl(propan-2-yl)diazene
SMILESCCC(C)/N=N/C(C)C
InChIInChI=1S/C7H16N2/c1-5-7(4)9-8-6(2)3/h6-7H,5H2,1-4H3/b9-8+
InChIKeyRLRIODKDNFVPLE-CMDGGOBGSA-N
MW128.22 g/mol
LogP2.65
Rot. Bonds3

About butan-2-yl(propan-2-yl)diazene

butan-2-yl(propan-2-yl)diazene (PubChem CID 14048844) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is butan-2-yl(propan-2-yl)diazene.

Molecular Properties

Compound Namebutan-2-yl(propan-2-yl)diazene
PubChem CID14048844
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Namebutan-2-yl(propan-2-yl)diazene
SMILESCCC(C)/N=N/C(C)C
InChIInChI=1S/C7H16N2/c1-5-7(4)9-8-6(2)3/h6-7H,5H2,1-4H3/b9-8+
InChIKeyRLRIODKDNFVPLE-CMDGGOBGSA-N
XLogP2.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.65
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 butan-2-yl(propan-2-yl)diazene?
The IUPAC name of butan-2-yl(propan-2-yl)diazene (CID 14048844) is butan-2-yl(propan-2-yl)diazene.
What is the SMILES notation for butan-2-yl(propan-2-yl)diazene?
The canonical SMILES for butan-2-yl(propan-2-yl)diazene is CCC(C)/N=N/C(C)C.
What is the InChIKey of butan-2-yl(propan-2-yl)diazene?
The InChIKey is RLRIODKDNFVPLE-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-7(4)9-8-6(2)3/h6-7H,5H2,1-4H3/b9-8+.
What are the key properties of butan-2-yl(propan-2-yl)diazene?
butan-2-yl(propan-2-yl)diazene has a molecular weight of 128.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(propan-2-yl)diazene is sourced from PubChem (CID 14048844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).