4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine

C23H53N3OSi — CID 140647576

IUPAC4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCCO[Si](CC)(CC)CC(CCCN(C)C)(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C23H53N3OSi/c1-10-27-28(11-2,12-3)22-23(16-13-19-24(4)5,17-14-20-25(6)7)18-15-21-26(8)9/h10-22H2,1-9H3
InChIKeyDUQJALYXTGUYQO-UHFFFAOYSA-N
MW415.78 g/mol
LogP5.02
Rot. Bonds18

About 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine

4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (PubChem CID 140647576) has the molecular formula C23H53N3OSi and a molecular weight of 415.78 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
PubChem CID140647576
Molecular FormulaC23H53N3OSi
Molecular Weight415.78 g/mol
Exact Mass415.40
IUPAC Name4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCCO[Si](CC)(CC)CC(CCCN(C)C)(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C23H53N3OSi/c1-10-27-28(11-2,12-3)22-23(16-13-19-24(4)5,17-14-20-25(6)7)18-15-21-26(8)9/h10-22H2,1-9H3
InChIKeyDUQJALYXTGUYQO-UHFFFAOYSA-N
XLogP5.02
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.78
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The IUPAC name of 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (CID 140647576) is 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is CCO[Si](CC)(CC)CC(CCCN(C)C)(CCCN(C)C)CCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The InChIKey is DUQJALYXTGUYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H53N3OSi/c1-10-27-28(11-2,12-3)22-23(16-13-19-24(4)5,17-14-20-25(6)7)18-15-21-26(8)9/h10-22H2,1-9H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine has a molecular weight of 415.78 g/mol, XLogP of 5.02, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is sourced from PubChem (CID 140647576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).