2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine

C10H20N4 — CID 87649241

IUPAC2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine
SMILES[H]/N=C/C(C)(CC)/N=N/C(C)(/C=N/[H])CC
InChIInChI=1S/C10H20N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h7-8,11-12H,5-6H2,1-4H3/b11-7+,12-8+,14-13+
InChIKeyHKXNAUSGZQIARQ-ZHHAIUQESA-N
MW196.30 g/mol
LogP3.08
Rot. Bonds6

About 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine

2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine (PubChem CID 87649241) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine.

Molecular Properties

Compound Name2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine
PubChem CID87649241
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine
SMILES[H]/N=C/C(C)(CC)/N=N/C(C)(/C=N/[H])CC
InChIInChI=1S/C10H20N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h7-8,11-12H,5-6H2,1-4H3/b11-7+,12-8+,14-13+
InChIKeyHKXNAUSGZQIARQ-ZHHAIUQESA-N
XLogP3.08
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine?
The IUPAC name of 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine (CID 87649241) is 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine.
What is the SMILES notation for 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine?
The canonical SMILES for 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine is [H]/N=C/C(C)(CC)/N=N/C(C)(/C=N/[H])CC.
What is the InChIKey of 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine?
The InChIKey is HKXNAUSGZQIARQ-ZHHAIUQESA-N. The full InChI is InChI=1S/C10H20N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h7-8,11-12H,5-6H2,1-4H3/b11-7+,12-8+,14-13+.
What are the key properties of 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine?
2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine has a molecular weight of 196.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine is sourced from PubChem (CID 87649241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).