N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine

C23H33NSi — CID 19366122

IUPACN-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine
SMILESCC1=C(C)C([Si](C)(C)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C23H33NSi/c1-15-16(2)22(21-8-6-5-7-20(15)21)25(3,4)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h5-8,17-19,22,24H,9-14H2,1-4H3
InChIKeyHZCXLYHVTHRUPG-UHFFFAOYSA-N
MW351.61 g/mol
LogP5.88
Rot. Bonds3

About N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine

N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine (PubChem CID 19366122) has the molecular formula C23H33NSi and a molecular weight of 351.61 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine
PubChem CID19366122
Molecular FormulaC23H33NSi
Molecular Weight351.61 g/mol
Exact Mass351.24
IUPAC NameN-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine
SMILESCC1=C(C)C([Si](C)(C)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C23H33NSi/c1-15-16(2)22(21-8-6-5-7-20(15)21)25(3,4)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h5-8,17-19,22,24H,9-14H2,1-4H3
InChIKeyHZCXLYHVTHRUPG-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.61
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine?
The IUPAC name of N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine (CID 19366122) is N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine.
What is the SMILES notation for N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine?
The canonical SMILES for N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine is CC1=C(C)C([Si](C)(C)NC23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine?
The InChIKey is HZCXLYHVTHRUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NSi/c1-15-16(2)22(21-8-6-5-7-20(15)21)25(3,4)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h5-8,17-19,22,24H,9-14H2,1-4H3.
What are the key properties of N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine?
N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine has a molecular weight of 351.61 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]adamantan-1-amine is sourced from PubChem (CID 19366122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).