CID 57071549

C16H28N2Si — CID 57071549

IUPAC—
SMILESCCN(CC)C(C[Si]c1ccccc1)N(CC)CC
InChIInChI=1S/C16H28N2Si/c1-5-17(6-2)16(18(7-3)8-4)14-19-15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3
InChIKeyBXEFOFUNKREAKK-UHFFFAOYSA-N
MW276.50 g/mol
LogP2.44
Rot. Bonds9

About CID 57071549

CID 57071549 (PubChem CID 57071549) has the molecular formula C16H28N2Si and a molecular weight of 276.50 g/mol.

Molecular Properties

Compound NameCID 57071549
PubChem CID57071549
Molecular FormulaC16H28N2Si
Molecular Weight276.50 g/mol
Exact Mass276.20
IUPAC Name—
SMILESCCN(CC)C(C[Si]c1ccccc1)N(CC)CC
InChIInChI=1S/C16H28N2Si/c1-5-17(6-2)16(18(7-3)8-4)14-19-15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3
InChIKeyBXEFOFUNKREAKK-UHFFFAOYSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57071549?
The IUPAC name of CID 57071549 (CID 57071549) is not available.
What is the SMILES notation for CID 57071549?
The canonical SMILES for CID 57071549 is CCN(CC)C(C[Si]c1ccccc1)N(CC)CC.
What is the InChIKey of CID 57071549?
The InChIKey is BXEFOFUNKREAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2Si/c1-5-17(6-2)16(18(7-3)8-4)14-19-15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3.
What are the key properties of CID 57071549?
CID 57071549 has a molecular weight of 276.50 g/mol, XLogP of 2.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57071549 is sourced from PubChem (CID 57071549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).