2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine

C13H27NO2 — CID 66357580

IUPAC2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCOC)C1(C)CC
InChIInChI=1S/C13H27NO2/c1-5-7-14-11-10-12(13(11,3)6-2)16-9-8-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyHJCBHRMBRFRIEF-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds8

About 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine

2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine (PubChem CID 66357580) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
PubChem CID66357580
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCOC)C1(C)CC
InChIInChI=1S/C13H27NO2/c1-5-7-14-11-10-12(13(11,3)6-2)16-9-8-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyHJCBHRMBRFRIEF-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine (CID 66357580) is 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine is CCCNC1CC(OCCOC)C1(C)CC.
What is the InChIKey of 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine?
The InChIKey is HJCBHRMBRFRIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-7-14-11-10-12(13(11,3)6-2)16-9-8-15-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine?
2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-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 2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66357580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).