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

C21H49N3OSi — CID 140647243

IUPACN'-[2-(ethoxy-ethyl-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)OCC
InChIInChI=1S/C21H49N3OSi/c1-8-14-22(5)16-12-18-24(19-13-17-23(6)15-9-2)20-21-26(7,11-4)25-10-3/h8-21H2,1-7H3
InChIKeyBKONWBADIMEZGQ-UHFFFAOYSA-N
MW387.73 g/mol
LogP4.38
Rot. Bonds18

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

N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine (PubChem CID 140647243) has the molecular formula C21H49N3OSi and a molecular weight of 387.73 g/mol. Its IUPAC name is N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
PubChem CID140647243
Molecular FormulaC21H49N3OSi
Molecular Weight387.73 g/mol
Exact Mass387.36
IUPAC NameN'-[2-(ethoxy-ethyl-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)OCC
InChIInChI=1S/C21H49N3OSi/c1-8-14-22(5)16-12-18-24(19-13-17-23(6)15-9-2)20-21-26(7,11-4)25-10-3/h8-21H2,1-7H3
InChIKeyBKONWBADIMEZGQ-UHFFFAOYSA-N
XLogP4.38
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.73
LogP ≤ 54.38
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-(ethyl-methoxy-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647449
N'-[3-(dipropylamino)propyl]-N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N,N-dipropylpropane-1,3-diamine
CID 140647654
N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647444
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594
N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
CID 140647743
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
N'-[[dimethoxy(methyl)silyl]methyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647371
3-[2-[ethoxy(dimethyl)silyl]ethyl]-N,N'-dimethyl-3-[2-[methyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718241
N'-[3-(dimethylamino)propyl]-N'-[3-[ethoxy(diethyl)silyl]propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647704
ethane;3-fluoro-N-methyl-N-propylpropan-1-amine
CID 142123052
4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
CID 140647565
diethoxy-[3-(ethoxy-ethyl-methylsilyl)propyl]-methylsilane
CID 58151778

Frequently Asked Questions

What is the IUPAC name of N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine (CID 140647243) is N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(ethoxy-ethyl-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)OCC.
What is the InChIKey of N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
The InChIKey is BKONWBADIMEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H49N3OSi/c1-8-14-22(5)16-12-18-24(19-13-17-23(6)15-9-2)20-21-26(7,11-4)25-10-3/h8-21H2,1-7H3.
What are the key properties of N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine?
N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine has a molecular weight of 387.73 g/mol, XLogP of 4.38, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N-methyl-N'-[3-[methyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 140647243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).