N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine

C18H44N4Si — CID 10043153

IUPACN-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine
SMILESCCNCCCNCCC[Si](C)(C)CCCNCCCNCC
InChIInChI=1S/C18H44N4Si/c1-5-19-11-7-13-21-15-9-17-23(3,4)18-10-16-22-14-8-12-20-6-2/h19-22H,5-18H2,1-4H3
InChIKeyROGUTBPHZXOQHY-UHFFFAOYSA-N
MW344.66 g/mol
LogP2.65
Rot. Bonds18

About N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine

N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine (PubChem CID 10043153) has the molecular formula C18H44N4Si and a molecular weight of 344.66 g/mol. Its IUPAC name is N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine
PubChem CID10043153
Molecular FormulaC18H44N4Si
Molecular Weight344.66 g/mol
Exact Mass344.33
IUPAC NameN-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine
SMILESCCNCCCNCCC[Si](C)(C)CCCNCCCNCC
InChIInChI=1S/C18H44N4Si/c1-5-19-11-7-13-21-15-9-17-23(3,4)18-10-16-22-14-8-12-20-6-2/h19-22H,5-18H2,1-4H3
InChIKeyROGUTBPHZXOQHY-UHFFFAOYSA-N
XLogP2.65
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.66
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine (CID 10043153) is N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine is CCNCCCNCCC[Si](C)(C)CCCNCCCNCC.
What is the InChIKey of N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine?
The InChIKey is ROGUTBPHZXOQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44N4Si/c1-5-19-11-7-13-21-15-9-17-23(3,4)18-10-16-22-14-8-12-20-6-2/h19-22H,5-18H2,1-4H3.
What are the key properties of N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine?
N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine has a molecular weight of 344.66 g/mol, XLogP of 2.65, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-[3-[3-(ethylamino)propylamino]propyl-dimethylsilyl]propyl]propane-1,3-diamine is sourced from PubChem (CID 10043153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).