3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine

C14H29NO2 — CID 113365056

IUPAC3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCCC(C)C)C1OC
InChIInChI=1S/C14H29NO2/c1-5-17-13-10-12(14(13)16-4)15-9-7-6-8-11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyHDXDJRILAKEJAC-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.59
Rot. Bonds9

About 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine

3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine (PubChem CID 113365056) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine
PubChem CID113365056
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCCC(C)C)C1OC
InChIInChI=1S/C14H29NO2/c1-5-17-13-10-12(14(13)16-4)15-9-7-6-8-11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyHDXDJRILAKEJAC-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.59
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 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine (CID 113365056) is 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine is CCOC1CC(NCCCCC(C)C)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine?
The InChIKey is HDXDJRILAKEJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-17-13-10-12(14(13)16-4)15-9-7-6-8-11(2)3/h11-15H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine is sourced from PubChem (CID 113365056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).