2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen

C16H41N12O4- — CID 162280524

IUPAC2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen
SMILESO=O.[H]/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/[H].[H]/N=C(\N)C(C)(C)OO.[H]/N=C(\N)C(C)C.[H][2H].[N-]=N
InChIInChI=1S/C8H18N6.C4H10N2O2.C4H10N2.HN2.O2.H2/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;1-4(2,8-7)3(5)6;1-3(2)4(5)6;2*1-2;/h1-4H3,(H3,9,10)(H3,11,12);7H,1-2H3,(H3,5,6);3H,1-2H3,(H3,5,6);1H;;1H/q;;;-1;;/b14-13+;;;;;/i;;;;;1+1
InChIKeyLAQCOUDZPVMJSI-JCCZGWGHSA-N
MW466.59 g/mol
LogP2.54
Rot. Bonds7

About 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen

2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen (PubChem CID 162280524) has the molecular formula C16H41N12O4- and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen.

Molecular Properties

Compound Name2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen
PubChem CID162280524
Molecular FormulaC16H41N12O4-
Molecular Weight466.59 g/mol
Exact Mass466.34
IUPAC Name2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen
SMILESO=O.[H]/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/[H].[H]/N=C(\N)C(C)(C)OO.[H]/N=C(\N)C(C)C.[H][2H].[N-]=N
InChIInChI=1S/C8H18N6.C4H10N2O2.C4H10N2.HN2.O2.H2/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;1-4(2,8-7)3(5)6;1-3(2)4(5)6;2*1-2;/h1-4H3,(H3,9,10)(H3,11,12);7H,1-2H3,(H3,5,6);3H,1-2H3,(H3,5,6);1H;;1H/q;;;-1;;/b14-13+;;;;;/i;;;;;1+1
InChIKeyLAQCOUDZPVMJSI-JCCZGWGHSA-N
XLogP2.54
TPSA333.95 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500466.59
LogP ≤ 52.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-amino-2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-1-iminopropan-2-yl]propanedioic acid
CID 87450042
3-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;hydrochloride
CID 87172294
2-methyl-2-nitrosopropanimidamide
CID 55282032
2-methylpropanimidamide;hydrochloride
CID 2782053
4-carbamimidoyl-5-methylhexanoic acid
CID 141366618
(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
CID 174596017
2-hydroperoxy-2,4-dimethylpentan-3-one
CID 12587193
tert-butyl N-(1,2-diamino-2-iminoethyl)carbamate
CID 87503014
3-amino-3-imino-2-methoxypropanoic acid
CID 87737958
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694
tert-butyl N-(1-amino-1-imino-4-methylpentan-2-yl)carbamate
CID 61428279
tert-butyl N-(1-amino-1-imino-3-methylpentan-2-yl)carbamate;hydrochloride
CID 137320121

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen?
The IUPAC name of 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen (CID 162280524) is 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen.
What is the SMILES notation for 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen?
The canonical SMILES for 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen is O=O.[H]/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/[H].[H]/N=C(\N)C(C)(C)OO.[H]/N=C(\N)C(C)C.[H][2H].[N-]=N.
What is the InChIKey of 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen?
The InChIKey is LAQCOUDZPVMJSI-JCCZGWGHSA-N. The full InChI is InChI=1S/C8H18N6.C4H10N2O2.C4H10N2.HN2.O2.H2/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;1-4(2,8-7)3(5)6;1-3(2)4(5)6;2*1-2;/h1-4H3,(H3,9,10)(H3,11,12);7H,1-2H3,(H3,5,6);3H,1-2H3,(H3,5,6);1H;;1H/q;;;-1;;/b14-13+;;;;;/i;;;;;1+1.
What are the key properties of 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen?
2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen has a molecular weight of 466.59 g/mol, XLogP of 2.54, 7 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;deuterium monohydride;2-hydroperoxy-2-methylpropanimidamide;iminoazanide;2-methylpropanimidamide;molecular oxygen is sourced from PubChem (CID 162280524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).