N-(3-methyl-4-trimethoxysilylbutyl)aniline

C14H25NO3Si — CID 21024234

IUPACN-(3-methyl-4-trimethoxysilylbutyl)aniline
SMILESCO[Si](CC(C)CCNc1ccccc1)(OC)OC
InChIInChI=1S/C14H25NO3Si/c1-13(12-19(16-2,17-3)18-4)10-11-15-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3
InChIKeyHCWHUTOBHUCPNO-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.00
Rot. Bonds9

About N-(3-methyl-4-trimethoxysilylbutyl)aniline

N-(3-methyl-4-trimethoxysilylbutyl)aniline (PubChem CID 21024234) has the molecular formula C14H25NO3Si and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(3-methyl-4-trimethoxysilylbutyl)aniline.

Molecular Properties

Compound NameN-(3-methyl-4-trimethoxysilylbutyl)aniline
PubChem CID21024234
Molecular FormulaC14H25NO3Si
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(3-methyl-4-trimethoxysilylbutyl)aniline
SMILESCO[Si](CC(C)CCNc1ccccc1)(OC)OC
InChIInChI=1S/C14H25NO3Si/c1-13(12-19(16-2,17-3)18-4)10-11-15-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3
InChIKeyHCWHUTOBHUCPNO-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-trimethoxysilylpropan-2-yl)aniline
CID 22495234
silane;N-(1-trimethoxysilylpropan-2-yl)aniline
CID 173063334
CID 165388786
CID 165388786
N-(3,4-dimethylpentyl)aniline
CID 89346874
N'-phenyl-N-(trimethoxysilylmethyl)methanediamine
CID 175370064
(3S)-4-methyl-1-N-phenylpentane-1,3-diamine
CID 71530639
4-methoxy-N-(3-phenylbutyl)aniline
CID 15317290
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793
N-[[aminomethoxy(dimethoxy)silyl]methyl]aniline
CID 175419637
(3S,5R)-3-amino-7-anilino-5-methylheptanoic acid
CID 68857725
N-(4-anilino-2-methylbutyl)-N-ethylacetamide
CID 10824472
3-methyl-4-trimethoxysilylbutane-1-thiol
CID 140918157

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-trimethoxysilylbutyl)aniline?
The IUPAC name of N-(3-methyl-4-trimethoxysilylbutyl)aniline (CID 21024234) is N-(3-methyl-4-trimethoxysilylbutyl)aniline.
What is the SMILES notation for N-(3-methyl-4-trimethoxysilylbutyl)aniline?
The canonical SMILES for N-(3-methyl-4-trimethoxysilylbutyl)aniline is CO[Si](CC(C)CCNc1ccccc1)(OC)OC.
What is the InChIKey of N-(3-methyl-4-trimethoxysilylbutyl)aniline?
The InChIKey is HCWHUTOBHUCPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3Si/c1-13(12-19(16-2,17-3)18-4)10-11-15-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3.
What are the key properties of N-(3-methyl-4-trimethoxysilylbutyl)aniline?
N-(3-methyl-4-trimethoxysilylbutyl)aniline has a molecular weight of 283.44 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-trimethoxysilylbutyl)aniline is sourced from PubChem (CID 21024234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).