4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine

C25H57N3OSi — CID 140647565

IUPAC4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
SMILESCCO[Si](C)(CC)CC(CCCN(C)CC)(CCCN(C)CC)CCCN(C)CC
InChIInChI=1S/C25H57N3OSi/c1-10-26(6)21-15-18-25(19-16-22-27(7)11-2,20-17-23-28(8)12-3)24-30(9,14-5)29-13-4/h10-24H2,1-9H3
InChIKeyJSRBOZVMXJJBAL-UHFFFAOYSA-N
MW443.84 g/mol
LogP5.80
Rot. Bonds20

About 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine

4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine (PubChem CID 140647565) has the molecular formula C25H57N3OSi and a molecular weight of 443.84 g/mol. Its IUPAC name is 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine.

Molecular Properties

Compound Name4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
PubChem CID140647565
Molecular FormulaC25H57N3OSi
Molecular Weight443.84 g/mol
Exact Mass443.43
IUPAC Name4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
SMILESCCO[Si](C)(CC)CC(CCCN(C)CC)(CCCN(C)CC)CCCN(C)CC
InChIInChI=1S/C25H57N3OSi/c1-10-26(6)21-15-18-25(19-16-22-27(7)11-2,20-17-23-28(8)12-3)24-30(9,14-5)29-13-4/h10-24H2,1-9H3
InChIKeyJSRBOZVMXJJBAL-UHFFFAOYSA-N
XLogP5.80
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.84
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647381
4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647576
4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647270
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594
N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647243
3-[2-(diethylamino)ethyl]-3-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718358
4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
CID 140647582
N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647444
N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
CID 140647654
4-[3-(dipropylamino)propyl]-4-[[methoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647719
diethoxy-[3-(ethoxy-ethyl-methylsilyl)propyl]-methylsilane
CID 58151778

Frequently Asked Questions

What is the IUPAC name of 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine?
The IUPAC name of 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine (CID 140647565) is 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine.
What is the SMILES notation for 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine?
The canonical SMILES for 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine is CCO[Si](C)(CC)CC(CCCN(C)CC)(CCCN(C)CC)CCCN(C)CC.
What is the InChIKey of 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine?
The InChIKey is JSRBOZVMXJJBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H57N3OSi/c1-10-26(6)21-15-18-25(19-16-22-27(7)11-2,20-17-23-28(8)12-3)24-30(9,14-5)29-13-4/h10-24H2,1-9H3.
What are the key properties of 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine?
4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine has a molecular weight of 443.84 g/mol, XLogP of 5.80, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine is sourced from PubChem (CID 140647565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).