2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine

C13H27NO3S — CID 114116392

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
SMILESCOCCOCCOCCNCC1(SC)CCC1
InChIInChI=1S/C13H27NO3S/c1-15-8-9-17-11-10-16-7-6-14-12-13(18-2)4-3-5-13/h14H,3-12H2,1-2H3
InChIKeyHRHCLBKCGHKNCW-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.54
Rot. Bonds12

About 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine

2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine (PubChem CID 114116392) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
PubChem CID114116392
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
SMILESCOCCOCCOCCNCC1(SC)CCC1
InChIInChI=1S/C13H27NO3S/c1-15-8-9-17-11-10-16-7-6-14-12-13(18-2)4-3-5-13/h14H,3-12H2,1-2H3
InChIKeyHRHCLBKCGHKNCW-UHFFFAOYSA-N
XLogP1.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
1-[[2-(2-methoxyethoxy)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 112752546
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65496681
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
CID 114756460
2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid
CID 114117097
N-[3-(2-methoxyethoxy)propyl]-1-methylcyclobutan-1-amine
CID 103409682
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
1-(3-methoxypropyl)-3-[(1-methylsulfanylcyclopentyl)methyl]thiourea
CID 114115865
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine (CID 114116392) is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine is COCCOCCOCCNCC1(SC)CCC1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine?
The InChIKey is HRHCLBKCGHKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-15-8-9-17-11-10-16-7-6-14-12-13(18-2)4-3-5-13/h14H,3-12H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine?
2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 1.54, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 114116392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).