(4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine

C17H26N2OSi — CID 11833587

IUPAC(4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine
SMILESC=CCN[C@H]1C[C@@H](C[Si](C)(C)C)ON=C1c1ccccc1
InChIInChI=1S/C17H26N2OSi/c1-5-11-18-16-12-15(13-21(2,3)4)20-19-17(16)14-9-7-6-8-10-14/h5-10,15-16,18H,1,11-13H2,2-4H3/t15-,16-/m0/s1
InChIKeyNJJFGVCTWSJPSC-HOTGVXAUSA-N
MW302.49 g/mol
LogP3.66
Rot. Bonds6

About (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine

(4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine (PubChem CID 11833587) has the molecular formula C17H26N2OSi and a molecular weight of 302.49 g/mol. Its IUPAC name is (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine.

Molecular Properties

Compound Name(4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine
PubChem CID11833587
Molecular FormulaC17H26N2OSi
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name(4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine
SMILESC=CCN[C@H]1C[C@@H](C[Si](C)(C)C)ON=C1c1ccccc1
InChIInChI=1S/C17H26N2OSi/c1-5-11-18-16-12-15(13-21(2,3)4)20-19-17(16)14-9-7-6-8-10-14/h5-10,15-16,18H,1,11-13H2,2-4H3/t15-,16-/m0/s1
InChIKeyNJJFGVCTWSJPSC-HOTGVXAUSA-N
XLogP3.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine
CID 102089529
N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine
CID 24712729
N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine
CID 24715266
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine
CID 19365140
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine
CID 19365191
1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine
CID 19365197
1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine
CID 19365204
N-methyl-1-(5-methyl-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)methanamine
CID 67556572
4-[4-[(Z)-C-methyl-N-propan-2-yloxycarbonimidoyl]phenyl]-3-(propan-2-ylamino)but-1-en-2-ol
CID 122527783
2-imino-N-[2-[methyl(propan-2-yloxy)silyl]ethyl]-2-phenylethanamine
CID 123832087
3-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hex-5-en-1-amine
CID 134232623
6-methyl-3-phenyl-5,6-dihydro-4H-oxazin-4-amine
CID 142081232

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine?
The IUPAC name of (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine (CID 11833587) is (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine.
What is the SMILES notation for (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine?
The canonical SMILES for (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine is C=CCN[C@H]1C[C@@H](C[Si](C)(C)C)ON=C1c1ccccc1.
What is the InChIKey of (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine?
The InChIKey is NJJFGVCTWSJPSC-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N2OSi/c1-5-11-18-16-12-15(13-21(2,3)4)20-19-17(16)14-9-7-6-8-10-14/h5-10,15-16,18H,1,11-13H2,2-4H3/t15-,16-/m0/s1.
What are the key properties of (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine?
(4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine has a molecular weight of 302.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-3-phenyl-N-prop-2-enyl-6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-4-amine is sourced from PubChem (CID 11833587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).