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

C23H53N3O2Si — CID 140647270

IUPAC4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCCO[Si](CC)(CC(CCCN(C)C)(CCCN(C)C)CCCN(C)C)OCC
InChIInChI=1S/C23H53N3O2Si/c1-10-27-29(12-3,28-11-2)22-23(16-13-19-24(4)5,17-14-20-25(6)7)18-15-21-26(8)9/h10-22H2,1-9H3
InChIKeyOVXPPDDNAMGATC-UHFFFAOYSA-N
MW431.78 g/mol
LogP4.53
Rot. Bonds19

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

4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (PubChem CID 140647270) has the molecular formula C23H53N3O2Si and a molecular weight of 431.78 g/mol. Its IUPAC name is 4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.

Molecular Properties

Compound Name4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
PubChem CID140647270
Molecular FormulaC23H53N3O2Si
Molecular Weight431.78 g/mol
Exact Mass431.39
IUPAC Name4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCCO[Si](CC)(CC(CCCN(C)C)(CCCN(C)C)CCCN(C)C)OCC
InChIInChI=1S/C23H53N3O2Si/c1-10-27-29(12-3,28-11-2)22-23(16-13-19-24(4)5,17-14-20-25(6)7)18-15-21-26(8)9/h10-22H2,1-9H3
InChIKeyOVXPPDDNAMGATC-UHFFFAOYSA-N
XLogP4.53
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.78
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
CID 140647325
4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647576
4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647381
4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
CID 140647565
3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine
CID 90074863
4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647331
4-[diethoxy(methyl)silyl]oxy-1-N,1-N-dimethylpentane-1,4-diamine
CID 160890336
3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718312
3-[[ethyl(dimethoxy)silyl]methyl]-N,N'-dimethyl-3-[2-[methyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718348
2-[[diethoxy(hexyl)silyl]methyl]-2-ethyl-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 140647272
3-[diethoxy(ethyl)silyl]propyl-diethoxy-ethylsilane
CID 20761011
4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
CID 140647582

Frequently Asked Questions

What is the IUPAC name of 4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The IUPAC name of 4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (CID 140647270) is 4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.
What is the SMILES notation for 4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The canonical SMILES for 4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is CCO[Si](CC)(CC(CCCN(C)C)(CCCN(C)C)CCCN(C)C)OCC.
What is the InChIKey of 4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The InChIKey is OVXPPDDNAMGATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H53N3O2Si/c1-10-27-29(12-3,28-11-2)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-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine has a molecular weight of 431.78 g/mol, XLogP of 4.53, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is sourced from PubChem (CID 140647270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).