2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine

C13H27NO3 — CID 113427576

IUPAC2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1OCCOCCOC
InChIInChI=1S/C13H27NO3/c1-5-13(2)11(14-3)10-12(13)17-9-8-16-7-6-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyRVLXPFSNEJQWOM-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.44
Rot. Bonds9

About 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine

2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine (PubChem CID 113427576) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine
PubChem CID113427576
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1OCCOCCOC
InChIInChI=1S/C13H27NO3/c1-5-13(2)11(14-3)10-12(13)17-9-8-16-7-6-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyRVLXPFSNEJQWOM-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66357580
3-(2-cyclobutylethoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 106207315
2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
CID 103408040
3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine
CID 103176206
3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352640
N-ethyl-3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylcyclobutan-1-amine
CID 103408066
2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane
CID 104567988
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 103408104
2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane
CID 104567999
3-(2-ethoxyethoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 66367098
2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
CID 66357579
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine (CID 113427576) is 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1OCCOCCOC.
What is the InChIKey of 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine?
The InChIKey is RVLXPFSNEJQWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-13(2)11(14-3)10-12(13)17-9-8-16-7-6-15-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine?
2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 113427576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).