CID 178023178

C25H53N3O2Si — CID 178023178

IUPAC—
SMILESCCCCN(CCCC)CCN1CCN(CCCCCCCC[Si]C(OC)OC)CC1
InChIInChI=1S/C25H53N3O2Si/c1-5-7-15-26(16-8-6-2)18-21-28-22-19-27(20-23-28)17-13-11-9-10-12-14-24-31-25(29-3)30-4/h25H,5-24H2,1-4H3
InChIKeyGJMVAQMKRSYZJE-UHFFFAOYSA-N
MW455.80 g/mol
LogP4.55
Rot. Bonds21

About CID 178023178

CID 178023178 (PubChem CID 178023178) has the molecular formula C25H53N3O2Si and a molecular weight of 455.80 g/mol.

Molecular Properties

Compound NameCID 178023178
PubChem CID178023178
Molecular FormulaC25H53N3O2Si
Molecular Weight455.80 g/mol
Exact Mass455.39
IUPAC Name—
SMILESCCCCN(CCCC)CCN1CCN(CCCCCCCC[Si]C(OC)OC)CC1
InChIInChI=1S/C25H53N3O2Si/c1-5-7-15-26(16-8-6-2)18-21-28-22-19-27(20-23-28)17-13-11-9-10-12-14-24-31-25(29-3)30-4/h25H,5-24H2,1-4H3
InChIKeyGJMVAQMKRSYZJE-UHFFFAOYSA-N
XLogP4.55
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.80
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane
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CID 176836303
N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine
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CID 178023142
CID 178023142

Frequently Asked Questions

What is the IUPAC name of CID 178023178?
The IUPAC name of CID 178023178 (CID 178023178) is not available.
What is the SMILES notation for CID 178023178?
The canonical SMILES for CID 178023178 is CCCCN(CCCC)CCN1CCN(CCCCCCCC[Si]C(OC)OC)CC1.
What is the InChIKey of CID 178023178?
The InChIKey is GJMVAQMKRSYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N3O2Si/c1-5-7-15-26(16-8-6-2)18-21-28-22-19-27(20-23-28)17-13-11-9-10-12-14-24-31-25(29-3)30-4/h25H,5-24H2,1-4H3.
What are the key properties of CID 178023178?
CID 178023178 has a molecular weight of 455.80 g/mol, XLogP of 4.55, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178023178 is sourced from PubChem (CID 178023178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).