N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline

C15H25NO4Si — CID 140762923

IUPACN-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline
SMILESCO[Si]1(OC)CCCOCC(CN(C)c2ccccc2)O1
InChIInChI=1S/C15H25NO4Si/c1-16(14-8-5-4-6-9-14)12-15-13-19-10-7-11-21(17-2,18-3)20-15/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKeyXRODLTNBUXBGEC-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.16
Rot. Bonds5

About N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline

N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline (PubChem CID 140762923) has the molecular formula C15H25NO4Si and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline
PubChem CID140762923
Molecular FormulaC15H25NO4Si
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline
SMILESCO[Si]1(OC)CCCOCC(CN(C)c2ccccc2)O1
InChIInChI=1S/C15H25NO4Si/c1-16(14-8-5-4-6-9-14)12-15-13-19-10-7-11-21(17-2,18-3)20-15/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKeyXRODLTNBUXBGEC-UHFFFAOYSA-N
XLogP2.16
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline
CID 140762863
N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline
CID 140762875
N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 38989172
N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline
CID 140762855
N-methyl-N-(oxetan-3-ylmethyl)aniline
CID 130694307
N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 140762840
N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 55070066
N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
CID 104744324
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline
CID 62440143
N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951558
1,2-dimethyl-3-[3-(N-methylanilino)propyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383919
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline?
The IUPAC name of N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline (CID 140762923) is N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline?
The canonical SMILES for N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline is CO[Si]1(OC)CCCOCC(CN(C)c2ccccc2)O1.
What is the InChIKey of N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline?
The InChIKey is XRODLTNBUXBGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4Si/c1-16(14-8-5-4-6-9-14)12-15-13-19-10-7-11-21(17-2,18-3)20-15/h4-6,8-9,15H,7,10-13H2,1-3H3.
What are the key properties of N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline?
N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline has a molecular weight of 311.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-methylaniline is sourced from PubChem (CID 140762923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).