4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane

C27H58N6O3Si2 — CID 157385511

IUPAC4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane
SMILESC.C.C.CNCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)CCC(C)(C#N)/N=N/C(C)(C#N)CCC(C)=O
InChIInChI=1S/C24H46N6O3Si2.3CH4/c1-21(31)11-13-23(2,19-25)29-30-24(3,20-26)14-12-22(32)28-16-10-18-35(7,8)33-34(5,6)17-9-15-27-4;;;/h27H,9-18H2,1-8H3,(H,28,32);3*1H4/b30-29+;;;
InChIKeyBLJPEBHGYDISEA-MHAWFHQYSA-N
MW570.97 g/mol
LogP6.60
Rot. Bonds18

About 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane

4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane (PubChem CID 157385511) has the molecular formula C27H58N6O3Si2 and a molecular weight of 570.97 g/mol. Its IUPAC name is 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane.

Molecular Properties

Compound Name4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane
PubChem CID157385511
Molecular FormulaC27H58N6O3Si2
Molecular Weight570.97 g/mol
Exact Mass570.41
IUPAC Name4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane
SMILESC.C.C.CNCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)CCC(C)(C#N)/N=N/C(C)(C#N)CCC(C)=O
InChIInChI=1S/C24H46N6O3Si2.3CH4/c1-21(31)11-13-23(2,19-25)29-30-24(3,20-26)14-12-22(32)28-16-10-18-35(7,8)33-34(5,6)17-9-15-27-4;;;/h27H,9-18H2,1-8H3,(H,28,32);3*1H4/b30-29+;;;
InChIKeyBLJPEBHGYDISEA-MHAWFHQYSA-N
XLogP6.60
TPSA139.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.97
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide
CID 167208165
4-[3-[[3-(3-carboxypropanoylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-4-oxobutanoic acid
CID 170942066
2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate
CID 140732053
4-cyano-4-[(2-cyano-5-methoxy-5-oxopentan-2-yl)diazenyl]pentanoic acid
CID 90190970
4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide
CID 23594085
4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid;dihydrochloride
CID 141256752
N-[3-[[[3-acetamidopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]acetamide
CID 153418128
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
11-[dichloro(methyl)silyl]undecyl 4-cyano-4-[[2-cyano-5-[11-[dichloro(methyl)silyl]undecoxy]-5-oxopentan-2-yl]diazenyl]pentanoate
CID 101485397
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
N-[10,10-bis(prop-2-enyl)tridec-12-enyl]-11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanamide
CID 176610509

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane?
The IUPAC name of 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane (CID 157385511) is 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane.
What is the SMILES notation for 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane?
The canonical SMILES for 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane is C.C.C.CNCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)CCC(C)(C#N)/N=N/C(C)(C#N)CCC(C)=O.
What is the InChIKey of 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane?
The InChIKey is BLJPEBHGYDISEA-MHAWFHQYSA-N. The full InChI is InChI=1S/C24H46N6O3Si2.3CH4/c1-21(31)11-13-23(2,19-25)29-30-24(3,20-26)14-12-22(32)28-16-10-18-35(7,8)33-34(5,6)17-9-15-27-4;;;/h27H,9-18H2,1-8H3,(H,28,32);3*1H4/b30-29+;;;.
What are the key properties of 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane?
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane has a molecular weight of 570.97 g/mol, XLogP of 6.60, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane is sourced from PubChem (CID 157385511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).