2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate

C54H100N24O4 — CID 158755865

IUPAC2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate
SMILESCC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.COC(=O)C(C)(C)/N=N/C(C)(C)C.O=C=O.[C-]#[N+]C(C)(C)/N=N/C(C)(C)C#N.[H]/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/[H].[H]/N=C(\N1CCCC1)C(C)(C)/N=N/C(C)(C)/C(=N/[H])N1CCCC1
InChIInChI=1S/C16H30N6.C12H22N6.C9H18N2O2.C8H18N6.C8H12N4.CO2/c1-15(2,13(17)21-9-5-6-10-21)19-20-16(3,4)14(18)22-11-7-8-12-22;1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;1-8(2,3)10-11-9(4,5)7(12)13-6;1-7(2,5(9)10)13-14-8(3,4)6(11)12;1-7(2,6-9)11-12-8(3,4)10-5;2-1-3/h17-18H,5-12H2,1-4H3;5-8H2,1-4H3,(H,13,14)(H,15,16);1-6H3;1-4H3,(H3,9,10)(H3,11,12);1-4H3;/b17-13-,18-14-,20-19+;18-17+;11-10+;14-13+;12-11+;
InChIKeyIOBLRWNNPLLHRY-FIKAZJBESA-N
MW1149.56 g/mol
LogP9.01
Rot. Bonds16

About 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate

2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate (PubChem CID 158755865) has the molecular formula C54H100N24O4 and a molecular weight of 1149.56 g/mol. Its IUPAC name is 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate.

Molecular Properties

Compound Name2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate
PubChem CID158755865
Molecular FormulaC54H100N24O4
Molecular Weight1149.56 g/mol
Exact Mass1148.84
IUPAC Name2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate
SMILESCC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.COC(=O)C(C)(C)/N=N/C(C)(C)C.O=C=O.[C-]#[N+]C(C)(C)/N=N/C(C)(C)C#N.[H]/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/[H].[H]/N=C(\N1CCCC1)C(C)(C)/N=N/C(C)(C)/C(=N/[H])N1CCCC1
InChIInChI=1S/C16H30N6.C12H22N6.C9H18N2O2.C8H18N6.C8H12N4.CO2/c1-15(2,13(17)21-9-5-6-10-21)19-20-16(3,4)14(18)22-11-7-8-12-22;1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;1-8(2,3)10-11-9(4,5)7(12)13-6;1-7(2,5(9)10)13-14-8(3,4)6(11)12;1-7(2,6-9)11-12-8(3,4)10-5;2-1-3/h17-18H,5-12H2,1-4H3;5-8H2,1-4H3,(H,13,14)(H,15,16);1-6H3;1-4H3,(H3,9,10)(H3,11,12);1-4H3;/b17-13-,18-14-,20-19+;18-17+;11-10+;14-13+;12-11+;
InChIKeyIOBLRWNNPLLHRY-FIKAZJBESA-N
XLogP9.01
TPSA414.89 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001149.56
LogP ≤ 59.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate?
The IUPAC name of 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate (CID 158755865) is 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate.
What is the SMILES notation for 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate?
The canonical SMILES for 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate is CC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.COC(=O)C(C)(C)/N=N/C(C)(C)C.O=C=O.[C-]#[N+]C(C)(C)/N=N/C(C)(C)C#N.[H]/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/[H].[H]/N=C(\N1CCCC1)C(C)(C)/N=N/C(C)(C)/C(=N/[H])N1CCCC1.
What is the InChIKey of 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate?
The InChIKey is IOBLRWNNPLLHRY-FIKAZJBESA-N. The full InChI is InChI=1S/C16H30N6.C12H22N6.C9H18N2O2.C8H18N6.C8H12N4.CO2/c1-15(2,13(17)21-9-5-6-10-21)19-20-16(3,4)14(18)22-11-7-8-12-22;1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;1-8(2,3)10-11-9(4,5)7(12)13-6;1-7(2,5(9)10)13-14-8(3,4)6(11)12;1-7(2,6-9)11-12-8(3,4)10-5;2-1-3/h17-18H,5-12H2,1-4H3;5-8H2,1-4H3,(H,13,14)(H,15,16);1-6H3;1-4H3,(H3,9,10)(H3,11,12);1-4H3;/b17-13-,18-14-,20-19+;18-17+;11-10+;14-13+;12-11+;.
What are the key properties of 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate?
2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate has a molecular weight of 1149.56 g/mol, XLogP of 9.01, 16 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;carbon dioxide;2-[(1-imino-2-methyl-1-pyrrolidin-1-ylpropan-2-yl)diazenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-imine;2-(2-isocyanopropan-2-yldiazenyl)-2-methylpropanenitrile;methyl 2-(tert-butyldiazenyl)-2-methylpropanoate is sourced from PubChem (CID 158755865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).