3-(tert-butyldiazenyl)butanenitrile

C8H15N3 — CID 54181319

IUPAC3-(tert-butyldiazenyl)butanenitrile
SMILESCC(CC#N)/N=N/C(C)(C)C
InChIInChI=1S/C8H15N3/c1-7(5-6-9)10-11-8(2,3)4/h7H,5H2,1-4H3/b11-10+
InChIKeyPBZNAMSRMHLTPS-ZHACJKMWSA-N
MW153.23 g/mol
LogP2.54
Rot. Bonds2

About 3-(tert-butyldiazenyl)butanenitrile

3-(tert-butyldiazenyl)butanenitrile (PubChem CID 54181319) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(tert-butyldiazenyl)butanenitrile.

Molecular Properties

Compound Name3-(tert-butyldiazenyl)butanenitrile
PubChem CID54181319
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-(tert-butyldiazenyl)butanenitrile
SMILESCC(CC#N)/N=N/C(C)(C)C
InChIInChI=1S/C8H15N3/c1-7(5-6-9)10-11-8(2,3)4/h7H,5H2,1-4H3/b11-10+
InChIKeyPBZNAMSRMHLTPS-ZHACJKMWSA-N
XLogP2.54
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(tert-butyldiazenyl)butanenitrile?
The IUPAC name of 3-(tert-butyldiazenyl)butanenitrile (CID 54181319) is 3-(tert-butyldiazenyl)butanenitrile.
What is the SMILES notation for 3-(tert-butyldiazenyl)butanenitrile?
The canonical SMILES for 3-(tert-butyldiazenyl)butanenitrile is CC(CC#N)/N=N/C(C)(C)C.
What is the InChIKey of 3-(tert-butyldiazenyl)butanenitrile?
The InChIKey is PBZNAMSRMHLTPS-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(5-6-9)10-11-8(2,3)4/h7H,5H2,1-4H3/b11-10+.
What are the key properties of 3-(tert-butyldiazenyl)butanenitrile?
3-(tert-butyldiazenyl)butanenitrile has a molecular weight of 153.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butyldiazenyl)butanenitrile is sourced from PubChem (CID 54181319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).