2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate

C8H22N4O — CID 172765661

IUPAC2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate
SMILESCC(C)(CN)/N=N/C(C)(C)CN.O
InChIInChI=1S/C8H20N4.H2O/c1-7(2,5-9)11-12-8(3,4)6-10;/h5-6,9-10H2,1-4H3;1H2/b12-11+;
InChIKeyMGUFQCQQGPWMOU-CALJPSDSSA-N
MW190.29 g/mol
LogP0.09
Rot. Bonds4

About 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate

2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate (PubChem CID 172765661) has the molecular formula C8H22N4O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate.

Molecular Properties

Compound Name2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate
PubChem CID172765661
Molecular FormulaC8H22N4O
Molecular Weight190.29 g/mol
Exact Mass190.18
IUPAC Name2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate
SMILESCC(C)(CN)/N=N/C(C)(C)CN.O
InChIInChI=1S/C8H20N4.H2O/c1-7(2,5-9)11-12-8(3,4)6-10;/h5-6,9-10H2,1-4H3;1H2/b12-11+;
InChIKeyMGUFQCQQGPWMOU-CALJPSDSSA-N
XLogP0.09
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate?
The IUPAC name of 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate (CID 172765661) is 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate.
What is the SMILES notation for 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate?
The canonical SMILES for 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate is CC(C)(CN)/N=N/C(C)(C)CN.O.
What is the InChIKey of 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate?
The InChIKey is MGUFQCQQGPWMOU-CALJPSDSSA-N. The full InChI is InChI=1S/C8H20N4.H2O/c1-7(2,5-9)11-12-8(3,4)6-10;/h5-6,9-10H2,1-4H3;1H2/b12-11+;.
What are the key properties of 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate?
2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate has a molecular weight of 190.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylpropan-2-yl)diazenyl]-2-methylpropan-1-amine;hydrate is sourced from PubChem (CID 172765661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).