3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine

C13H27NO2 — CID 65167908

IUPAC3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOCCNC1CC(OCC)C1(C)CC
InChIInChI=1S/C13H27NO2/c1-5-13(4)11(10-12(13)16-7-3)14-8-9-15-6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyZLKLGEFNASXWPQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds8

About 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine

3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 65167908) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID65167908
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOCCNC1CC(OCC)C1(C)CC
InChIInChI=1S/C13H27NO2/c1-5-13(4)11(10-12(13)16-7-3)14-8-9-15-6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyZLKLGEFNASXWPQ-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
CID 83210264
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
3-ethoxy-2-ethyl-2-methyl-N-(3-methylsulfinylpropyl)cyclobutan-1-amine
CID 113487325
1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
CID 113497546
4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol
CID 106245384
N-[2-(azepan-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167643
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356652
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66357580
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine (CID 65167908) is 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine is CCOCCNC1CC(OCC)C1(C)CC.
What is the InChIKey of 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is ZLKLGEFNASXWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-13(4)11(10-12(13)16-7-3)14-8-9-15-6-2/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine?
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65167908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).