[(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine

C23H39NO2Si — CID 11292204

IUPAC[(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine
SMILESC[C@@]12CCC[C@@H](O[Si](C)(C)C)[C@H]1[C@](CN)(COCc1ccccc1)CCC2
InChIInChI=1S/C23H39NO2Si/c1-22-13-8-12-20(26-27(2,3)4)21(22)23(17-24,15-9-14-22)18-25-16-19-10-6-5-7-11-19/h5-7,10-11,20-21H,8-9,12-18,24H2,1-4H3/t20-,21-,22+,23-/m1/s1
InChIKeyJMIMRXBIUYCSJI-BXXSPATCSA-N
MW389.66 g/mol
LogP5.36
Rot. Bonds7

About [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine

[(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine (PubChem CID 11292204) has the molecular formula C23H39NO2Si and a molecular weight of 389.66 g/mol. Its IUPAC name is [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine
PubChem CID11292204
Molecular FormulaC23H39NO2Si
Molecular Weight389.66 g/mol
Exact Mass389.28
IUPAC Name[(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine
SMILESC[C@@]12CCC[C@@H](O[Si](C)(C)C)[C@H]1[C@](CN)(COCc1ccccc1)CCC2
InChIInChI=1S/C23H39NO2Si/c1-22-13-8-12-20(26-27(2,3)4)21(22)23(17-24,15-9-14-22)18-25-16-19-10-6-5-7-11-19/h5-7,10-11,20-21H,8-9,12-18,24H2,1-4H3/t20-,21-,22+,23-/m1/s1
InChIKeyJMIMRXBIUYCSJI-BXXSPATCSA-N
XLogP5.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.66
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine with MolForge

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Related Compounds

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N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
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2-methyl-2-(phenylmethoxymethyl)oxirane
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1-(aminomethyl)-N-benzyl-2-methylcyclopentan-1-amine
CID 65384422
dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane
CID 100983505
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol
CID 79855992
(1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]
CID 16723239
(3aS,4S,6aS)-2,2-dimethyl-3a-(phenylmethoxymethyl)-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-amine
CID 57053674

Frequently Asked Questions

What is the IUPAC name of [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine (CID 11292204) is [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine is C[C@@]12CCC[C@@H](O[Si](C)(C)C)[C@H]1[C@](CN)(COCc1ccccc1)CCC2.
What is the InChIKey of [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine?
The InChIKey is JMIMRXBIUYCSJI-BXXSPATCSA-N. The full InChI is InChI=1S/C23H39NO2Si/c1-22-13-8-12-20(26-27(2,3)4)21(22)23(17-24,15-9-14-22)18-25-16-19-10-6-5-7-11-19/h5-7,10-11,20-21H,8-9,12-18,24H2,1-4H3/t20-,21-,22+,23-/m1/s1.
What are the key properties of [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine?
[(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine has a molecular weight of 389.66 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 11292204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).