(4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine

C16H27NO2Si — CID 15352812

IUPAC(4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OC[C@H](NC[Si](C)(C)C)[C@H](c2ccccc2)O1
InChIInChI=1S/C16H27NO2Si/c1-16(2)18-11-14(17-12-20(3,4)5)15(19-16)13-9-7-6-8-10-13/h6-10,14-15,17H,11-12H2,1-5H3/t14-,15-/m0/s1
InChIKeyBHEJYXPQZNLKDS-GJZGRUSLSA-N
MW293.48 g/mol
LogP3.35
Rot. Bonds4

About (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine

(4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine (PubChem CID 15352812) has the molecular formula C16H27NO2Si and a molecular weight of 293.48 g/mol. Its IUPAC name is (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name(4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine
PubChem CID15352812
Molecular FormulaC16H27NO2Si
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name(4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OC[C@H](NC[Si](C)(C)C)[C@H](c2ccccc2)O1
InChIInChI=1S/C16H27NO2Si/c1-16(2)18-11-14(17-12-20(3,4)5)15(19-16)13-9-7-6-8-10-13/h6-10,14-15,17H,11-12H2,1-5H3/t14-,15-/m0/s1
InChIKeyBHEJYXPQZNLKDS-GJZGRUSLSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]carbamate
CID 10473775
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
1-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-naphthalen-1-ylurea
CID 1053006
(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile
CID 134918767
(2S)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-methylhexanenitrile
CID 134870587
(3S,3aS,5R,8aS,9aR)-3-[[[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CID 163071986
N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21046931
[(1S)-1-[(4R,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]ethyl]-dimethyl-phenylsilane
CID 10383520
(2R)-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]amino]-2-naphthalen-2-ylbutanenitrile
CID 122364102
1-(2-chloro-5-methylphenyl)-3-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea
CID 10407090
1-(4-bromo-2-chlorophenyl)-3-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea
CID 10048862
N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide
CID 142907510

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine?
The IUPAC name of (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine (CID 15352812) is (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine.
What is the SMILES notation for (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine?
The canonical SMILES for (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine is CC1(C)OC[C@H](NC[Si](C)(C)C)[C@H](c2ccccc2)O1.
What is the InChIKey of (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine?
The InChIKey is BHEJYXPQZNLKDS-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H27NO2Si/c1-16(2)18-11-14(17-12-20(3,4)5)15(19-16)13-9-7-6-8-10-13/h6-10,14-15,17H,11-12H2,1-5H3/t14-,15-/m0/s1.
What are the key properties of (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine?
(4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine has a molecular weight of 293.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2-dimethyl-4-phenyl-N-(trimethylsilylmethyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 15352812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).