(E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine

C19H39N3O3Si — CID 99771064

IUPAC(E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine
SMILESC/C(CC(C)C)=N/O[Si](C)(O/N=C(/C)CC(C)C)O/N=C(\C)CC(C)C
InChIInChI=1S/C19H39N3O3Si/c1-14(2)11-17(7)20-23-26(10,24-21-18(8)12-15(3)4)25-22-19(9)13-16(5)6/h14-16H,11-13H2,1-10H3/b20-17-,21-18-,22-19+
InChIKeyRZPFCUACWXNGQN-VQCKGVSCSA-N
MW385.63 g/mol
LogP5.87
Rot. Bonds12

About (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine

(E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine (PubChem CID 99771064) has the molecular formula C19H39N3O3Si and a molecular weight of 385.63 g/mol. Its IUPAC name is (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine.

Molecular Properties

Compound Name(E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine
PubChem CID99771064
Molecular FormulaC19H39N3O3Si
Molecular Weight385.63 g/mol
Exact Mass385.28
IUPAC Name(E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine
SMILESC/C(CC(C)C)=N/O[Si](C)(O/N=C(/C)CC(C)C)O/N=C(\C)CC(C)C
InChIInChI=1S/C19H39N3O3Si/c1-14(2)11-17(7)20-23-26(10,24-21-18(8)12-15(3)4)25-22-19(9)13-16(5)6/h14-16H,11-13H2,1-10H3/b20-17-,21-18-,22-19+
InChIKeyRZPFCUACWXNGQN-VQCKGVSCSA-N
XLogP5.87
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.63
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine with MolForge

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Related Compounds

(E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine
CID 11475053
(4-methylpentan-2-ylideneamino) acetate
CID 59413828
N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine
CID 54422536
4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine
CID 58849462
4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine
CID 173017912
N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine
CID 54447675
N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide
CID 142656935
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
3-trimethylsilyloxyiminobutanenitrile
CID 140887440
4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine
CID 174412172

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine?
The IUPAC name of (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine (CID 99771064) is (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine.
What is the SMILES notation for (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine?
The canonical SMILES for (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine is C/C(CC(C)C)=N/O[Si](C)(O/N=C(/C)CC(C)C)O/N=C(\C)CC(C)C.
What is the InChIKey of (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine?
The InChIKey is RZPFCUACWXNGQN-VQCKGVSCSA-N. The full InChI is InChI=1S/C19H39N3O3Si/c1-14(2)11-17(7)20-23-26(10,24-21-18(8)12-15(3)4)25-22-19(9)13-16(5)6/h14-16H,11-13H2,1-10H3/b20-17-,21-18-,22-19+.
What are the key properties of (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine?
(E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine has a molecular weight of 385.63 g/mol, XLogP of 5.87, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine is sourced from PubChem (CID 99771064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).