N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine

C24H55N3OSi — CID 140647444

IUPACN'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
SMILESCCCN(CC)CCCN(CCCN(CC)CCC)CCC[Si](C)(CC)OCC
InChIInChI=1S/C24H55N3OSi/c1-8-17-25(10-3)19-14-21-27(22-15-20-26(11-4)18-9-2)23-16-24-29(7,13-6)28-12-5/h8-24H2,1-7H3
InChIKeyBGMSPSNXSDUJKM-UHFFFAOYSA-N
MW429.81 g/mol
LogP5.55
Rot. Bonds21

About N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine

N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine (PubChem CID 140647444) has the molecular formula C24H55N3OSi and a molecular weight of 429.81 g/mol. Its IUPAC name is N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
PubChem CID140647444
Molecular FormulaC24H55N3OSi
Molecular Weight429.81 g/mol
Exact Mass429.41
IUPAC NameN'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
SMILESCCCN(CC)CCCN(CCCN(CC)CCC)CCC[Si](C)(CC)OCC
InChIInChI=1S/C24H55N3OSi/c1-8-17-25(10-3)19-14-21-27(22-15-20-26(11-4)18-9-2)23-16-24-29(7,13-6)28-12-5/h8-24H2,1-7H3
InChIKeyBGMSPSNXSDUJKM-UHFFFAOYSA-N
XLogP5.55
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.81
LogP ≤ 55.55
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

N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
CID 140647654
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-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
CID 140647743
N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647314
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738
N'-[3-[diethoxy(ethyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647627
diethoxy-[3-(ethoxy-ethyl-methylsilyl)propyl]-methylsilane
CID 58151778
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
3-[[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-ethoxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-ethoxy-methylsilyl]-N,N-diethylpropan-1-amine
CID 171623497
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813

Frequently Asked Questions

What is the IUPAC name of N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine (CID 140647444) is N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine is CCCN(CC)CCCN(CCCN(CC)CCC)CCC[Si](C)(CC)OCC.
What is the InChIKey of N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The InChIKey is BGMSPSNXSDUJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H55N3OSi/c1-8-17-25(10-3)19-14-21-27(22-15-20-26(11-4)18-9-2)23-16-24-29(7,13-6)28-12-5/h8-24H2,1-7H3.
What are the key properties of N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine has a molecular weight of 429.81 g/mol, XLogP of 5.55, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 140647444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).