N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline

C21H29NO2Si — CID 140762855

IUPACN-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline
SMILESC[Si]1(C)CCCOCC(CN(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H29NO2Si/c1-25(2)15-9-14-23-18-21(24-25)17-22(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-8,10-13,21H,9,14-18H2,1-2H3
InChIKeyMKEKAPZFPUMBRR-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.70
Rot. Bonds5

About N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline

N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline (PubChem CID 140762855) has the molecular formula C21H29NO2Si and a molecular weight of 355.55 g/mol. Its IUPAC name is N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline
PubChem CID140762855
Molecular FormulaC21H29NO2Si
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC NameN-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline
SMILESC[Si]1(C)CCCOCC(CN(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H29NO2Si/c1-25(2)15-9-14-23-18-21(24-25)17-22(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-8,10-13,21H,9,14-18H2,1-2H3
InChIKeyMKEKAPZFPUMBRR-UHFFFAOYSA-N
XLogP4.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline?
The IUPAC name of N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline (CID 140762855) is N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline.
What is the SMILES notation for N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline?
The canonical SMILES for N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline is C[Si]1(C)CCCOCC(CN(Cc2ccccc2)c2ccccc2)O1.
What is the InChIKey of N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline?
The InChIKey is MKEKAPZFPUMBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2Si/c1-25(2)15-9-14-23-18-21(24-25)17-22(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-8,10-13,21H,9,14-18H2,1-2H3.
What are the key properties of N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline?
N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline has a molecular weight of 355.55 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]aniline is sourced from PubChem (CID 140762855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).