CID 172619482

C21H46N2OSi2 — CID 172619482

IUPAC—
SMILESCCN(CC)C([Si]CCCCCCCC[Si]OC(C)(C)C)N(CC)CC
InChIInChI=1S/C21H46N2OSi2/c1-8-22(9-2)20(23(10-3)11-4)25-18-16-14-12-13-15-17-19-26-24-21(5,6)7/h20H,8-19H2,1-7H3
InChIKeyYQBJSPGIMUJCQF-UHFFFAOYSA-N
MW398.78 g/mol
LogP5.27
Rot. Bonds17

About CID 172619482

CID 172619482 (PubChem CID 172619482) has the molecular formula C21H46N2OSi2 and a molecular weight of 398.78 g/mol.

Molecular Properties

Compound NameCID 172619482
PubChem CID172619482
Molecular FormulaC21H46N2OSi2
Molecular Weight398.78 g/mol
Exact Mass398.31
IUPAC Name—
SMILESCCN(CC)C([Si]CCCCCCCC[Si]OC(C)(C)C)N(CC)CC
InChIInChI=1S/C21H46N2OSi2/c1-8-22(9-2)20(23(10-3)11-4)25-18-16-14-12-13-15-17-19-26-24-21(5,6)7/h20H,8-19H2,1-7H3
InChIKeyYQBJSPGIMUJCQF-UHFFFAOYSA-N
XLogP5.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 172619491
CID 172619491
CID 18454036
CID 18454036
CID 20836247
CID 20836247
N,N-diethyl-1-iodo-2,2-dimethylpropan-1-amine
CID 170088626
CID 172619330
CID 172619330
CID 18454122
CID 18454122
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
CID 174934900
CID 172619457
CID 172619457
CID 18427000
CID 18427000
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
(3-methoxy-2-methylnonadecan-2-yl)silane
CID 173128968
N-ethyl-N-[(2-methylpropan-2-yl)oxymethyl]ethanamine
CID 22960539

Frequently Asked Questions

What is the IUPAC name of CID 172619482?
The IUPAC name of CID 172619482 (CID 172619482) is not available.
What is the SMILES notation for CID 172619482?
The canonical SMILES for CID 172619482 is CCN(CC)C([Si]CCCCCCCC[Si]OC(C)(C)C)N(CC)CC.
What is the InChIKey of CID 172619482?
The InChIKey is YQBJSPGIMUJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2OSi2/c1-8-22(9-2)20(23(10-3)11-4)25-18-16-14-12-13-15-17-19-26-24-21(5,6)7/h20H,8-19H2,1-7H3.
What are the key properties of CID 172619482?
CID 172619482 has a molecular weight of 398.78 g/mol, XLogP of 5.27, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172619482 is sourced from PubChem (CID 172619482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).