(E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine

C20H41N3O3Si — CID 11475053

IUPAC(E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine
SMILESC/C(CC(C)C)=N/O[Si](C)(O/N=C(\C)CC(C)C)O/N=C(\C)C(C)C(C)C
InChIInChI=1S/C20H41N3O3Si/c1-14(2)12-17(7)21-24-27(11,25-22-18(8)13-15(3)4)26-23-20(10)19(9)16(5)6/h14-16,19H,12-13H2,1-11H3/b21-17-,22-18+,23-20+
InChIKeyAUSKKJOAQTXNNG-PILQUVPRSA-N
MW399.65 g/mol
LogP6.12
Rot. Bonds12

About (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine

(E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine (PubChem CID 11475053) has the molecular formula C20H41N3O3Si and a molecular weight of 399.65 g/mol. Its IUPAC name is (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine.

Molecular Properties

Compound Name(E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine
PubChem CID11475053
Molecular FormulaC20H41N3O3Si
Molecular Weight399.65 g/mol
Exact Mass399.29
IUPAC Name(E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine
SMILESC/C(CC(C)C)=N/O[Si](C)(O/N=C(\C)CC(C)C)O/N=C(\C)C(C)C(C)C
InChIInChI=1S/C20H41N3O3Si/c1-14(2)12-17(7)21-24-27(11,25-22-18(8)13-15(3)4)26-23-20(10)19(9)16(5)6/h14-16,19H,12-13H2,1-11H3/b21-17-,22-18+,23-20+
InChIKeyAUSKKJOAQTXNNG-PILQUVPRSA-N
XLogP6.12
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.65
LogP ≤ 56.12
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'}

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Related Compounds

(E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine
CID 99771064
(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-methylpentan-2-one;2,3,5,6-tetramethylheptan-4-one
CID 159810749
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

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine?
The IUPAC name of (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine (CID 11475053) is (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine.
What is the SMILES notation for (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine?
The canonical SMILES for (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine is C/C(CC(C)C)=N/O[Si](C)(O/N=C(\C)CC(C)C)O/N=C(\C)C(C)C(C)C.
What is the InChIKey of (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine?
The InChIKey is AUSKKJOAQTXNNG-PILQUVPRSA-N. The full InChI is InChI=1S/C20H41N3O3Si/c1-14(2)12-17(7)21-24-27(11,25-22-18(8)13-15(3)4)26-23-20(10)19(9)16(5)6/h14-16,19H,12-13H2,1-11H3/b21-17-,22-18+,23-20+.
What are the key properties of (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine?
(E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine has a molecular weight of 399.65 g/mol, XLogP of 6.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-N-[methyl-[(E)-4-methylpentan-2-ylideneamino]oxy-[(Z)-4-methylpentan-2-ylideneamino]oxysilyl]oxypentan-2-imine is sourced from PubChem (CID 11475053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).