4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline

C12H19Cl2NSi — CID 54277336

IUPAC4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCC[Si](C)(Cl)Cl)cc1
InChIInChI=1S/C12H19Cl2NSi/c1-15(2)12-8-6-11(7-9-12)5-4-10-16(3,13)14/h6-9H,4-5,10H2,1-3H3
InChIKeyROHXIHLTKFZDNS-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.23
Rot. Bonds5

About 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline

4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline (PubChem CID 54277336) has the molecular formula C12H19Cl2NSi and a molecular weight of 276.28 g/mol. Its IUPAC name is 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline
PubChem CID54277336
Molecular FormulaC12H19Cl2NSi
Molecular Weight276.28 g/mol
Exact Mass275.07
IUPAC Name4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCC[Si](C)(Cl)Cl)cc1
InChIInChI=1S/C12H19Cl2NSi/c1-15(2)12-8-6-11(7-9-12)5-4-10-16(3,13)14/h6-9H,4-5,10H2,1-3H3
InChIKeyROHXIHLTKFZDNS-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

4-heptyl-N,N-dimethylaniline
CID 20777180
4-(6-bromohexyl)-N,N-dimethylaniline
CID 142754958
4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile
CID 71380052
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
4-(5-iminopentyl)-N,N-dimethylaniline
CID 87880589
N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806116
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145
N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline
CID 59545884
N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline
CID 132545214
N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101081658
(2S)-2-amino-5-[4-(dimethylamino)phenyl]pentanamide
CID 174576031

Frequently Asked Questions

What is the IUPAC name of 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline (CID 54277336) is 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline is CN(C)c1ccc(CCC[Si](C)(Cl)Cl)cc1.
What is the InChIKey of 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline?
The InChIKey is ROHXIHLTKFZDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2NSi/c1-15(2)12-8-6-11(7-9-12)5-4-10-16(3,13)14/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline?
4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline has a molecular weight of 276.28 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline is sourced from PubChem (CID 54277336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).