N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine

C20H31NSi — CID 71609932

IUPACN-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine
SMILESC[Si](C)(C)c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H31NSi/c1-22(2,3)19-6-4-15(5-7-19)14-21-20-11-16-8-17(12-20)10-18(9-16)13-20/h4-7,16-18,21H,8-14H2,1-3H3
InChIKeyDCAMKRXUXIPITB-UHFFFAOYSA-N
MW313.56 g/mol
LogP4.29
Rot. Bonds4

About N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine

N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine (PubChem CID 71609932) has the molecular formula C20H31NSi and a molecular weight of 313.56 g/mol. Its IUPAC name is N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine
PubChem CID71609932
Molecular FormulaC20H31NSi
Molecular Weight313.56 g/mol
Exact Mass313.22
IUPAC NameN-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine
SMILESC[Si](C)(C)c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H31NSi/c1-22(2,3)19-6-4-15(5-7-19)14-21-20-11-16-8-17(12-20)10-18(9-16)13-20/h4-7,16-18,21H,8-14H2,1-3H3
InChIKeyDCAMKRXUXIPITB-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.56
LogP ≤ 54.29
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-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine?
The IUPAC name of N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine (CID 71609932) is N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine is C[Si](C)(C)c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine?
The InChIKey is DCAMKRXUXIPITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NSi/c1-22(2,3)19-6-4-15(5-7-19)14-21-20-11-16-8-17(12-20)10-18(9-16)13-20/h4-7,16-18,21H,8-14H2,1-3H3.
What are the key properties of N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine?
N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine has a molecular weight of 313.56 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine is sourced from PubChem (CID 71609932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).