1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine

C21H48ClN3O3Si — CID 88532046

IUPAC1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine
SMILESCCC(Cl)[Si](OC(C)N(CC)CC)(OC(C)N(CC)CC)OC(C)N(CC)CC
InChIInChI=1S/C21H48ClN3O3Si/c1-11-21(22)29(26-18(8)23(12-2)13-3,27-19(9)24(14-4)15-5)28-20(10)25(16-6)17-7/h18-21H,11-17H2,1-10H3
InChIKeyPJEMSLRHZJXQJY-UHFFFAOYSA-N
MW454.17 g/mol
LogP4.60
Rot. Bonds17

About 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine

1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine (PubChem CID 88532046) has the molecular formula C21H48ClN3O3Si and a molecular weight of 454.17 g/mol. Its IUPAC name is 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine
PubChem CID88532046
Molecular FormulaC21H48ClN3O3Si
Molecular Weight454.17 g/mol
Exact Mass453.32
IUPAC Name1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine
SMILESCCC(Cl)[Si](OC(C)N(CC)CC)(OC(C)N(CC)CC)OC(C)N(CC)CC
InChIInChI=1S/C21H48ClN3O3Si/c1-11-21(22)29(26-18(8)23(12-2)13-3,27-19(9)24(14-4)15-5)28-20(10)25(16-6)17-7/h18-21H,11-17H2,1-10H3
InChIKeyPJEMSLRHZJXQJY-UHFFFAOYSA-N
XLogP4.60
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.17
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloropropyl(triethoxy)silane;ethanol
CID 174653765
1-(diethylamino)ethyl acetate;hydrochloride
CID 175006388
N,N-diethyl-1-propoxyethanamine
CID 173093623
N,N-diethyl-1-trichlorosilylpropan-1-amine
CID 174844337
silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate
CID 173439858
N-[1-(diethylamino)ethyl]-N-methylcarbamoyl chloride
CID 89202898
N,N-diethyl-1-[methoxy(methyl)silyl]oxyethanamine
CID 173381217
N,N-diethyl-1-tributylstannyloxyethanamine
CID 22757043
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine?
The IUPAC name of 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine (CID 88532046) is 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine.
What is the SMILES notation for 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine?
The canonical SMILES for 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine is CCC(Cl)[Si](OC(C)N(CC)CC)(OC(C)N(CC)CC)OC(C)N(CC)CC.
What is the InChIKey of 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine?
The InChIKey is PJEMSLRHZJXQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48ClN3O3Si/c1-11-21(22)29(26-18(8)23(12-2)13-3,27-19(9)24(14-4)15-5)28-20(10)25(16-6)17-7/h18-21H,11-17H2,1-10H3.
What are the key properties of 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine?
1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine has a molecular weight of 454.17 g/mol, XLogP of 4.60, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloropropyl-bis[1-(diethylamino)ethoxy]silyl]oxy-N,N-diethylethanamine is sourced from PubChem (CID 88532046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).