3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine

C15H31NO2 — CID 65169506

IUPAC3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine
SMILESCCCC(COC)NC1CC(OCC)C1(C)CC
InChIInChI=1S/C15H31NO2/c1-6-9-12(11-17-5)16-13-10-14(18-8-3)15(13,4)7-2/h12-14,16H,6-11H2,1-5H3
InChIKeyIGKYHYBBILAHOZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.98
Rot. Bonds9

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

3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine (PubChem CID 65169506) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine
PubChem CID65169506
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine
SMILESCCCC(COC)NC1CC(OCC)C1(C)CC
InChIInChI=1S/C15H31NO2/c1-6-9-12(11-17-5)16-13-10-14(18-8-3)15(13,4)7-2/h12-14,16H,6-11H2,1-5H3
InChIKeyIGKYHYBBILAHOZ-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine (CID 65169506) is 3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine is CCCC(COC)NC1CC(OCC)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine?
The InChIKey is IGKYHYBBILAHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-9-12(11-17-5)16-13-10-14(18-8-3)15(13,4)7-2/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine?
3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65169506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).