N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine

C27H55NSi5 — CID 101375019

IUPACN-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine
SMILESC[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si]1=C=NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H55NSi5/c1-30(2,3)26(31(4,5)6)13-14-27(32(7,8)9,33(10,11)12)29(26)21-28-25-18-22-15-23(19-25)17-24(16-22)20-25/h22-24H,13-20H2,1-12H3
InChIKeyCLSBXVURKBWMOU-UHFFFAOYSA-N
MW534.17 g/mol
LogP8.72
Rot. Bonds5

About N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine

N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine (PubChem CID 101375019) has the molecular formula C27H55NSi5 and a molecular weight of 534.17 g/mol. Its IUPAC name is N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine.

Molecular Properties

Compound NameN-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine
PubChem CID101375019
Molecular FormulaC27H55NSi5
Molecular Weight534.17 g/mol
Exact Mass533.32
IUPAC NameN-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine
SMILESC[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si]1=C=NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H55NSi5/c1-30(2,3)26(31(4,5)6)13-14-27(32(7,8)9,33(10,11)12)29(26)21-28-25-18-22-15-23(19-25)17-24(16-22)20-25/h22-24H,13-20H2,1-12H3
InChIKeyCLSBXVURKBWMOU-UHFFFAOYSA-N
XLogP8.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.17
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-isocyanatotricyclo[3.3.1.03,7]nonane
CID 139505844
trimethyl-[1-oxo-2,5,5-tris(trimethylsilyl)silolan-2-yl]silane
CID 102352094
1-(18O)nitrosoadamantane
CID 10080757
3-(1-adamantylimino)-2-methyl-1-phenylprop-2-en-1-one
CID 15685742
1,3-diisothiocyanatoadamantane
CID 46942271
N-(1-adamantyl)propan-1-imine
CID 5136240
1-adamantylimino(2,2-dimethylpropylidene)molybdenum(2+);bis(2,5-dimethylpyrrol-1-ide)
CID 58460707
[1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane
CID 177433871
(5S,7R)-3-isocyanatoadamantan-1-ol
CID 130758661
N-methyltricyclo[4.3.1.13,8]undecan-1-amine
CID 123976762
(2E,5R,7S)-1-methyl-2-[(5R,7S)-1-methyl-2-adamantylidene]adamantane
CID 101019759
6-(1-adamantylimino)-5-thia-7-azaspiro[3.4]octan-8-one
CID 135509932

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine?
The IUPAC name of N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine (CID 101375019) is N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine.
What is the SMILES notation for N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine?
The canonical SMILES for N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine is C[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si]1=C=NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine?
The InChIKey is CLSBXVURKBWMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NSi5/c1-30(2,3)26(31(4,5)6)13-14-27(32(7,8)9,33(10,11)12)29(26)21-28-25-18-22-15-23(19-25)17-24(16-22)20-25/h22-24H,13-20H2,1-12H3.
What are the key properties of N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine?
N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine has a molecular weight of 534.17 g/mol, XLogP of 8.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]methanimine is sourced from PubChem (CID 101375019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).