N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine

C24H55N3OSi — CID 140647738

IUPACN'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
SMILESCCCN(CC)CCCN(CCCN(CC)CCC)CCC[Si](CC)(CC)OC
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(12-5,13-6)28-7/h8-24H2,1-7H3
InChIKeyKJRPDCVKOOYGGU-UHFFFAOYSA-N
MW429.81 g/mol
LogP5.55
Rot. Bonds21

About N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine

N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine (PubChem CID 140647738) has the molecular formula C24H55N3OSi and a molecular weight of 429.81 g/mol. Its IUPAC name is N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
PubChem CID140647738
Molecular FormulaC24H55N3OSi
Molecular Weight429.81 g/mol
Exact Mass429.41
IUPAC NameN'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
SMILESCCCN(CC)CCCN(CCCN(CC)CCC)CCC[Si](CC)(CC)OC
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(12-5,13-6)28-7/h8-24H2,1-7H3
InChIKeyKJRPDCVKOOYGGU-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-[diethyl(methoxy)silyl]propyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647262
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647444
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
diethyl-hexyl-methoxysilane
CID 59112330
triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
CID 88852370
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
CID 140647654
N'-[3-(dimethylamino)propyl]-N'-[3-[ethoxy(diethyl)silyl]propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647704
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
3-chloropropyl-diethyl-methoxysilane
CID 54506163

Frequently Asked Questions

What is the IUPAC name of N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine (CID 140647738) is N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine is CCCN(CC)CCCN(CCCN(CC)CCC)CCC[Si](CC)(CC)OC.
What is the InChIKey of N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The InChIKey is KJRPDCVKOOYGGU-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(12-5,13-6)28-7/h8-24H2,1-7H3.
What are the key properties of N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
N'-[3-[diethyl(methoxy)silyl]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-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 140647738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).