(1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine

C23H45NOSi4 — CID 101178415

IUPAC(1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine
SMILESCC1=C(C)C[Si@](O[Si](C)(C)C)([Si](C)(C)C)[C@](N(C)c2ccccc2)([Si](C)(C)C)C1
InChIInChI=1S/C23H45NOSi4/c1-20-18-23(26(4,5)6,24(3)22-16-14-13-15-17-22)29(19-21(20)2,28(10,11)12)25-27(7,8)9/h13-17H,18-19H2,1-12H3/t23-,29+/m1/s1
InChIKeyHCLVEFPNNYHAEE-BTYSJIOQSA-N
MW463.96 g/mol
LogP7.23
Rot. Bonds6

About (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine

(1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine (PubChem CID 101178415) has the molecular formula C23H45NOSi4 and a molecular weight of 463.96 g/mol. Its IUPAC name is (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine.

Molecular Properties

Compound Name(1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine
PubChem CID101178415
Molecular FormulaC23H45NOSi4
Molecular Weight463.96 g/mol
Exact Mass463.26
IUPAC Name(1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine
SMILESCC1=C(C)C[Si@](O[Si](C)(C)C)([Si](C)(C)C)[C@](N(C)c2ccccc2)([Si](C)(C)C)C1
InChIInChI=1S/C23H45NOSi4/c1-20-18-23(26(4,5)6,24(3)22-16-14-13-15-17-22)29(19-21(20)2,28(10,11)12)25-27(7,8)9/h13-17H,18-19H2,1-12H3/t23-,29+/m1/s1
InChIKeyHCLVEFPNNYHAEE-BTYSJIOQSA-N
XLogP7.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.96
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
CID 102048786
N,N-dimethylaniline;hydrofluoride
CID 160775229
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
1-(N-methylanilino)cyclopentane-1-carboxylic acid
CID 114988662
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline
CID 23593074
ethene;N-methyl-N-phenylaniline
CID 144541479
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 101139378

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine?
The IUPAC name of (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine (CID 101178415) is (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine.
What is the SMILES notation for (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine?
The canonical SMILES for (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine is CC1=C(C)C[Si@](O[Si](C)(C)C)([Si](C)(C)C)[C@](N(C)c2ccccc2)([Si](C)(C)C)C1.
What is the InChIKey of (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine?
The InChIKey is HCLVEFPNNYHAEE-BTYSJIOQSA-N. The full InChI is InChI=1S/C23H45NOSi4/c1-20-18-23(26(4,5)6,24(3)22-16-14-13-15-17-22)29(19-21(20)2,28(10,11)12)25-27(7,8)9/h13-17H,18-19H2,1-12H3/t23-,29+/m1/s1.
What are the key properties of (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine?
(1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine has a molecular weight of 463.96 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-N,3,4-trimethyl-N-phenyl-1,6-bis(trimethylsilyl)-1-trimethylsilyloxy-2,5-dihydrosilin-6-amine is sourced from PubChem (CID 101178415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).