2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine

C14H27NO2 — CID 104676149

IUPAC2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine
SMILESCCOC1C(NC)CC1OC1CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-16-14-12(15-3)9-13(14)17-11-7-5-10(2)6-8-11/h10-15H,4-9H2,1-3H3
InChIKeyJHSUHBZVDRKYSM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds5

About 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine

2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine (PubChem CID 104676149) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine
PubChem CID104676149
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine
SMILESCCOC1C(NC)CC1OC1CCC(C)CC1
InChIInChI=1S/C14H27NO2/c1-4-16-14-12(15-3)9-13(14)17-11-7-5-10(2)6-8-11/h10-15H,4-9H2,1-3H3
InChIKeyJHSUHBZVDRKYSM-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine (CID 104676149) is 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine is CCOC1C(NC)CC1OC1CCC(C)CC1.
What is the InChIKey of 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine?
The InChIKey is JHSUHBZVDRKYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-16-14-12(15-3)9-13(14)17-11-7-5-10(2)6-8-11/h10-15H,4-9H2,1-3H3.
What are the key properties of 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine?
2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-amine is sourced from PubChem (CID 104676149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).