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

C12H25NO3Si2 — CID 173063334

IUPACsilane;N-(1-trimethoxysilylpropan-2-yl)aniline
SMILESCO[Si](CC(C)Nc1ccccc1)(OC)OC.[SiH4]
InChIInChI=1S/C12H21NO3Si.H4Si/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;1H4
InChIKeyGCPKKKUKAVNOKG-UHFFFAOYSA-N
MW287.51 g/mol
LogP0.91
Rot. Bonds7

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

silane;N-(1-trimethoxysilylpropan-2-yl)aniline (PubChem CID 173063334) has the molecular formula C12H25NO3Si2 and a molecular weight of 287.51 g/mol. Its IUPAC name is silane;N-(1-trimethoxysilylpropan-2-yl)aniline.

Molecular Properties

Compound Namesilane;N-(1-trimethoxysilylpropan-2-yl)aniline
PubChem CID173063334
Molecular FormulaC12H25NO3Si2
Molecular Weight287.51 g/mol
Exact Mass287.14
IUPAC Namesilane;N-(1-trimethoxysilylpropan-2-yl)aniline
SMILESCO[Si](CC(C)Nc1ccccc1)(OC)OC.[SiH4]
InChIInChI=1S/C12H21NO3Si.H4Si/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;1H4
InChIKeyGCPKKKUKAVNOKG-UHFFFAOYSA-N
XLogP0.91
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 50.91
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
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
(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
CID 12543528
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

Frequently Asked Questions

What is the IUPAC name of silane;N-(1-trimethoxysilylpropan-2-yl)aniline?
The IUPAC name of silane;N-(1-trimethoxysilylpropan-2-yl)aniline (CID 173063334) is silane;N-(1-trimethoxysilylpropan-2-yl)aniline.
What is the SMILES notation for silane;N-(1-trimethoxysilylpropan-2-yl)aniline?
The canonical SMILES for silane;N-(1-trimethoxysilylpropan-2-yl)aniline is CO[Si](CC(C)Nc1ccccc1)(OC)OC.[SiH4].
What is the InChIKey of silane;N-(1-trimethoxysilylpropan-2-yl)aniline?
The InChIKey is GCPKKKUKAVNOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3Si.H4Si/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;1H4.
What are the key properties of silane;N-(1-trimethoxysilylpropan-2-yl)aniline?
silane;N-(1-trimethoxysilylpropan-2-yl)aniline has a molecular weight of 287.51 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silane;N-(1-trimethoxysilylpropan-2-yl)aniline is sourced from PubChem (CID 173063334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).