4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine

C13H29NO3Si — CID 173017912

IUPAC4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine
SMILESCCCC(N=C(C)CC(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C13H29NO3Si/c1-8-9-13(14-12(4)10-11(2)3)18(15-5,16-6)17-7/h11,13H,8-10H2,1-7H3
InChIKeyOETACKBRGAVUHH-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.08
Rot. Bonds9

About 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine

4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine (PubChem CID 173017912) has the molecular formula C13H29NO3Si and a molecular weight of 275.46 g/mol. Its IUPAC name is 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine
PubChem CID173017912
Molecular FormulaC13H29NO3Si
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine
SMILESCCCC(N=C(C)CC(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C13H29NO3Si/c1-8-9-13(14-12(4)10-11(2)3)18(15-5,16-6)17-7/h11,13H,8-10H2,1-7H3
InChIKeyOETACKBRGAVUHH-UHFFFAOYSA-N
XLogP3.08
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-azidobutyl(trimethoxy)silane
CID 152514280
4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine
CID 174412172
4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
CID 142452569
4-methyl-N-(1-phenylbutyl)pentan-2-imine
CID 139668090
4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine
CID 58849462
(E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine
CID 99771064
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
ethyl 2-trimethoxysilylpentanedithioate
CID 141147269
5-methoxy-2-methyloctan-4-one
CID 116708189
N,5-dimethyl-4-propyloctan-2-imine
CID 123171277
4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
methyl 3-hydroxy-4-methylheptanoate
CID 14280456

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine?
The IUPAC name of 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine (CID 173017912) is 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine.
What is the SMILES notation for 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine?
The canonical SMILES for 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine is CCCC(N=C(C)CC(C)C)[Si](OC)(OC)OC.
What is the InChIKey of 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine?
The InChIKey is OETACKBRGAVUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3Si/c1-8-9-13(14-12(4)10-11(2)3)18(15-5,16-6)17-7/h11,13H,8-10H2,1-7H3.
What are the key properties of 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine?
4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine has a molecular weight of 275.46 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine is sourced from PubChem (CID 173017912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).