bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide

C28H54N10O8 — CID 159840839

IUPACbis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
SMILESCC(C)(/N=N/C(C)(C)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO.CC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1
InChIInChI=1S/C16H32N4O8.C12H22N6/c1-13(2,11(27)17-15(5-21,6-22)7-23)19-20-14(3,4)12(28)18-16(8-24,9-25)10-26;1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10/h21-26H,5-10H2,1-4H3,(H,17,27)(H,18,28);5-8H2,1-4H3,(H,13,14)(H,15,16)/b20-19+;18-17+
InChIKeyNOQRBLNAXZHEIE-WBYHNICJSA-N
MW658.80 g/mol
LogP-2.34
Rot. Bonds16

About bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide

bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide (PubChem CID 159840839) has the molecular formula C28H54N10O8 and a molecular weight of 658.80 g/mol. Its IUPAC name is bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide.

Molecular Properties

Compound Namebis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
PubChem CID159840839
Molecular FormulaC28H54N10O8
Molecular Weight658.80 g/mol
Exact Mass658.41
IUPAC Namebis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
SMILESCC(C)(/N=N/C(C)(C)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO.CC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1
InChIInChI=1S/C16H32N4O8.C12H22N6/c1-13(2,11(27)17-15(5-21,6-22)7-23)19-20-14(3,4)12(28)18-16(8-24,9-25)10-26;1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10/h21-26H,5-10H2,1-4H3,(H,17,27)(H,18,28);5-8H2,1-4H3,(H,13,14)(H,15,16)/b20-19+;18-17+
InChIKeyNOQRBLNAXZHEIE-WBYHNICJSA-N
XLogP-2.34
TPSA277.80 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 5-2.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide with MolForge

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Related Compounds

bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yl]diazene;dihydrochloride
CID 22033797
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide;N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
CID 161201056
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;2-[2-[2-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]propan-2-yldiazenyl]propan-2-yl]-4,5-dihydroimidazol-1-yl]ethanol;tetrahydrochloride
CID 172849698
4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
CID 159210984
2-(2-methylbutan-2-yl)-4,5-dihydro-1H-imidazole
CID 20689611
2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 88553786
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;5-methyl-1H-1,2,4-triazole-3-sulfonyl fluoride
CID 161291145
2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
CID 82110016
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
2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride
CID 22242523
2-(4,5-dihydro-1H-imidazol-2-yl)butan-2-amine
CID 55291512
1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
CID 142858674

Frequently Asked Questions

What is the IUPAC name of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
The IUPAC name of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide (CID 159840839) is bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide.
What is the SMILES notation for bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
The canonical SMILES for bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide is CC(C)(/N=N/C(C)(C)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO.CC(C)(/N=N/C(C)(C)C1=NCCN1)C1=NCCN1.
What is the InChIKey of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
The InChIKey is NOQRBLNAXZHEIE-WBYHNICJSA-N. The full InChI is InChI=1S/C16H32N4O8.C12H22N6/c1-13(2,11(27)17-15(5-21,6-22)7-23)19-20-14(3,4)12(28)18-16(8-24,9-25)10-26;1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10/h21-26H,5-10H2,1-4H3,(H,17,27)(H,18,28);5-8H2,1-4H3,(H,13,14)(H,15,16)/b20-19+;18-17+.
What are the key properties of bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide has a molecular weight of 658.80 g/mol, XLogP of -2.34, 16 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide is sourced from PubChem (CID 159840839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).