3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride

C8H19ClN6 — CID 87172294

IUPAC3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)C/N=N/C(C)(C)/C(N)=N/[H]
InChIInChI=1S/C8H18N6.ClH/c1-5(6(9)10)4-13-14-8(2,3)7(11)12;/h5H,4H2,1-3H3,(H3,9,10)(H3,11,12);1H/b14-13+;
InChIKeyXXAKEOANRWADPV-IERUDJENSA-N
MW234.74 g/mol
LogP1.15
Rot. Bonds5

About 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride

3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride (PubChem CID 87172294) has the molecular formula C8H19ClN6 and a molecular weight of 234.74 g/mol. Its IUPAC name is 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride
PubChem CID87172294
Molecular FormulaC8H19ClN6
Molecular Weight234.74 g/mol
Exact Mass234.14
IUPAC Name3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)C/N=N/C(C)(C)/C(N)=N/[H]
InChIInChI=1S/C8H18N6.ClH/c1-5(6(9)10)4-13-14-8(2,3)7(11)12;/h5H,4H2,1-3H3,(H3,9,10)(H3,11,12);1H/b14-13+;
InChIKeyXXAKEOANRWADPV-IERUDJENSA-N
XLogP1.15
TPSA124.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.74
LogP ≤ 51.15
H-Bond Donors ≤ 54
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride?
The IUPAC name of 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride (CID 87172294) is 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride.
What is the SMILES notation for 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride?
The canonical SMILES for 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(C)C/N=N/C(C)(C)/C(N)=N/[H].
What is the InChIKey of 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride?
The InChIKey is XXAKEOANRWADPV-IERUDJENSA-N. The full InChI is InChI=1S/C8H18N6.ClH/c1-5(6(9)10)4-13-14-8(2,3)7(11)12;/h5H,4H2,1-3H3,(H3,9,10)(H3,11,12);1H/b14-13+;.
What are the key properties of 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride?
3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride has a molecular weight of 234.74 g/mol, XLogP of 1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride is sourced from PubChem (CID 87172294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).