N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine

C20H47N3OSi — CID 140647449

IUPACN'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
SMILESCCCN(C)CCCN(CCCN(C)CCC)CC[Si](C)(CC)OC
InChIInChI=1S/C20H47N3OSi/c1-8-13-21(4)15-11-17-23(18-12-16-22(5)14-9-2)19-20-25(7,10-3)24-6/h8-20H2,1-7H3
InChIKeyINJVIZUPKFKLDC-UHFFFAOYSA-N
MW373.70 g/mol
LogP3.99
Rot. Bonds17

About N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine

N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine (PubChem CID 140647449) has the molecular formula C20H47N3OSi and a molecular weight of 373.70 g/mol. Its IUPAC name is N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
PubChem CID140647449
Molecular FormulaC20H47N3OSi
Molecular Weight373.70 g/mol
Exact Mass373.35
IUPAC NameN'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
SMILESCCCN(C)CCCN(CCCN(C)CCC)CC[Si](C)(CC)OC
InChIInChI=1S/C20H47N3OSi/c1-8-13-21(4)15-11-17-23(18-12-16-22(5)14-9-2)19-20-25(7,10-3)24-6/h8-20H2,1-7H3
InChIKeyINJVIZUPKFKLDC-UHFFFAOYSA-N
XLogP3.99
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 53.99
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'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647243
N'-[[dimethoxy(methyl)silyl]methyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647371
N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
CID 140647654
N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
CID 140647743
N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647444
ethane;3-fluoro-N-methyl-N-propylpropan-1-amine
CID 142123052
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
N'-[3-[diethyl(methoxy)silyl]propyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647262
N-ethyl-N'-[[ethyl(dimethoxy)silyl]methyl]-N'-[3-[ethyl(methyl)amino]propyl]-N-methylpropane-1,3-diamine
CID 140647529
3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588516
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594

Frequently Asked Questions

What is the IUPAC name of N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine (CID 140647449) is N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine is CCCN(C)CCCN(CCCN(C)CCC)CC[Si](C)(CC)OC.
What is the InChIKey of N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The InChIKey is INJVIZUPKFKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47N3OSi/c1-8-13-21(4)15-11-17-23(18-12-16-22(5)14-9-2)19-20-25(7,10-3)24-6/h8-20H2,1-7H3.
What are the key properties of N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine has a molecular weight of 373.70 g/mol, XLogP of 3.99, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 140647449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).