N-(1-trimethoxysilylpropan-2-yl)aniline

C12H21NO3Si — CID 22495234

IUPACN-(1-trimethoxysilylpropan-2-yl)aniline
SMILESCO[Si](CC(C)Nc1ccccc1)(OC)OC
InChIInChI=1S/C12H21NO3Si/c1-11(10-17(14-2,15-3)16-4)13-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3
InChIKeyUGKIMWPNMQHSAA-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.37
Rot. Bonds7

About N-(1-trimethoxysilylpropan-2-yl)aniline

N-(1-trimethoxysilylpropan-2-yl)aniline (PubChem CID 22495234) has the molecular formula C12H21NO3Si and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(1-trimethoxysilylpropan-2-yl)aniline.

Molecular Properties

Compound NameN-(1-trimethoxysilylpropan-2-yl)aniline
PubChem CID22495234
Molecular FormulaC12H21NO3Si
Molecular Weight255.39 g/mol
Exact Mass255.13
IUPAC NameN-(1-trimethoxysilylpropan-2-yl)aniline
SMILESCO[Si](CC(C)Nc1ccccc1)(OC)OC
InChIInChI=1S/C12H21NO3Si/c1-11(10-17(14-2,15-3)16-4)13-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3
InChIKeyUGKIMWPNMQHSAA-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.37
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

silane;N-(1-trimethoxysilylpropan-2-yl)aniline
CID 173063334
N-(3-methyl-4-trimethoxysilylbutyl)aniline
CID 21024234
methyl (3R)-3-anilinobutanoate
CID 11333008
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
4-N-phenylpentane-2,4-diamine
CID 156531414
2-N,2-N,2-trimethyl-4-N-phenylpentane-2,4-diamine
CID 13185865
N-(5-phenylpentan-2-yl)aniline
CID 134967933
N-(1-methoxypropan-2-yl)-4-phenylaniline
CID 62536989
1-phenyl-2-trimethoxysilylethanol
CID 67153670
CID 165388786
CID 165388786
N'-phenyl-N-(trimethoxysilylmethyl)methanediamine
CID 175370064
3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine
CID 151836311

Frequently Asked Questions

What is the IUPAC name of N-(1-trimethoxysilylpropan-2-yl)aniline?
The IUPAC name of N-(1-trimethoxysilylpropan-2-yl)aniline (CID 22495234) is N-(1-trimethoxysilylpropan-2-yl)aniline.
What is the SMILES notation for N-(1-trimethoxysilylpropan-2-yl)aniline?
The canonical SMILES for N-(1-trimethoxysilylpropan-2-yl)aniline is CO[Si](CC(C)Nc1ccccc1)(OC)OC.
What is the InChIKey of N-(1-trimethoxysilylpropan-2-yl)aniline?
The InChIKey is UGKIMWPNMQHSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3Si/c1-11(10-17(14-2,15-3)16-4)13-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3.
What are the key properties of N-(1-trimethoxysilylpropan-2-yl)aniline?
N-(1-trimethoxysilylpropan-2-yl)aniline has a molecular weight of 255.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-trimethoxysilylpropan-2-yl)aniline is sourced from PubChem (CID 22495234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).