1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride

C19H48ClN3O5Si — CID 161419099

IUPAC1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride
SMILESCCCOCCN.C[Si](C)(C)OCCN.Cl.NCCOCCCC(=O)CCCO
InChIInChI=1S/C9H19NO3.C5H15NOSi.C5H13NO.ClH/c10-5-8-13-7-2-4-9(12)3-1-6-11;1-8(2,3)7-5-4-6;1-2-4-7-5-3-6;/h11H,1-8,10H2;4-6H2,1-3H3;2-6H2,1H3;1H
InChIKeyXSBNVXSZHZMHAU-UHFFFAOYSA-N
MW462.15 g/mol
LogP1.67
Rot. Bonds16

About 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride

1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride (PubChem CID 161419099) has the molecular formula C19H48ClN3O5Si and a molecular weight of 462.15 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride
PubChem CID161419099
Molecular FormulaC19H48ClN3O5Si
Molecular Weight462.15 g/mol
Exact Mass461.31
IUPAC Name1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride
SMILESCCCOCCN.C[Si](C)(C)OCCN.Cl.NCCOCCCC(=O)CCCO
InChIInChI=1S/C9H19NO3.C5H15NOSi.C5H13NO.ClH/c10-5-8-13-7-2-4-9(12)3-1-6-11;1-8(2,3)7-5-4-6;1-2-4-7-5-3-6;/h11H,1-8,10H2;4-6H2,1-3H3;2-6H2,1H3;1H
InChIKeyXSBNVXSZHZMHAU-UHFFFAOYSA-N
XLogP1.67
TPSA143.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.15
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride 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

6-(2-aminoethoxy)hexan-3-one
CID 158645779
1-propoxyhenicosan-4-one
CID 157232243
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
CID 171850546
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
1-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
3-hydroxypropyl 4-[4-(3-hydroxypropoxy)-4-oxobutoxy]butanoate
CID 158830331
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 160630926
4-hydroxybutyl acetate;1-propoxypropane
CID 87513978
2-(2-hydroxyethoxy)ethanol;propyl 4-hydroxybutanoate
CID 87568507
10-(2-aminoethoxy)-1-(6-methyl-1,2,4,5-tetrazin-3-yl)decane-3,7-dione
CID 161498798
bis(3-propoxypropyl) carbonate
CID 90300554
bis(3-propoxypropyl) hexanedioate
CID 174802487

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride?
The IUPAC name of 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride (CID 161419099) is 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride.
What is the SMILES notation for 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride?
The canonical SMILES for 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride is CCCOCCN.C[Si](C)(C)OCCN.Cl.NCCOCCCC(=O)CCCO.
What is the InChIKey of 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride?
The InChIKey is XSBNVXSZHZMHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.C5H15NOSi.C5H13NO.ClH/c10-5-8-13-7-2-4-9(12)3-1-6-11;1-8(2,3)7-5-4-6;1-2-4-7-5-3-6;/h11H,1-8,10H2;4-6H2,1-3H3;2-6H2,1H3;1H.
What are the key properties of 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride?
1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride has a molecular weight of 462.15 g/mol, XLogP of 1.67, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-7-hydroxyheptan-4-one;2-propoxyethanamine;2-trimethylsilyloxyethanamine;hydrochloride is sourced from PubChem (CID 161419099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).