2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine

C30H45NSi — CID 162287063

IUPAC2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine
SMILESCC1CC2C(C1[Si](NC(C)(C)C)(c1ccccc1)c1ccccc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C30H45NSi/c1-22-21-25-26(30(7,8)20-19-29(25,5)6)27(22)32(31-28(2,3)4,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25-27,31H,19-21H2,1-8H3
InChIKeyGTQDXFBHSHYCES-UHFFFAOYSA-N
MW447.78 g/mol
LogP6.62
Rot. Bonds4

About 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine

2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine (PubChem CID 162287063) has the molecular formula C30H45NSi and a molecular weight of 447.78 g/mol. Its IUPAC name is 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine
PubChem CID162287063
Molecular FormulaC30H45NSi
Molecular Weight447.78 g/mol
Exact Mass447.33
IUPAC Name2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine
SMILESCC1CC2C(C1[Si](NC(C)(C)C)(c1ccccc1)c1ccccc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C30H45NSi/c1-22-21-25-26(30(7,8)20-19-29(25,5)6)27(22)32(31-28(2,3)4,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25-27,31H,19-21H2,1-8H3
InChIKeyGTQDXFBHSHYCES-UHFFFAOYSA-N
XLogP6.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.78
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[(2,5,5,8,8-pentamethyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[b]naphthalen-3-yl)-diphenylsilyl]propan-2-amine
CID 140878838
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol
CID 71423247
N-[[(1S)-3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-bis(4-methylphenyl)silyl]-2-methylpropan-2-amine
CID 58649079
tert-butyl-[[2-(2,2-dimethylcyclopentyl)-1,3-dioxol-4-yl]oxy]-diphenylsilane
CID 66918808
(1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol
CID 12983176
cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 11783022
(1R,3aS,6R,7S,7aR)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-hydroxy-1,3,3,6-tetramethyl-2,3a,5,6,7,7a-hexahydroinden-4-one
CID 102053083
(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine
CID 11137917
N-[dimethyl-(6,6,9,9-tetramethyl-8,10a-dihydro-7H-benzo[b]fluoren-11-yl)silyl]-2-phenylpropan-2-amine
CID 102198351
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine (CID 162287063) is 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine is CC1CC2C(C1[Si](NC(C)(C)C)(c1ccccc1)c1ccccc1)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine?
The InChIKey is GTQDXFBHSHYCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NSi/c1-22-21-25-26(30(7,8)20-19-29(25,5)6)27(22)32(31-28(2,3)4,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22,25-27,31H,19-21H2,1-8H3.
What are the key properties of 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine?
2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine has a molecular weight of 447.78 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,4,4,7,7-pentamethyl-2,3,3a,5,6,7a-hexahydro-1H-inden-1-yl)-diphenylsilyl]propan-2-amine is sourced from PubChem (CID 162287063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).