3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine

C14H27NO2 — CID 113364998

IUPAC3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCC2(C)CCCC2)C1OC
InChIInChI=1S/C14H27NO2/c1-4-17-12-9-11(13(12)16-3)15-10-14(2)7-5-6-8-14/h11-13,15H,4-10H2,1-3H3
InChIKeyXWDHGDZKFXEFEE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds6

About 3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine

3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine (PubChem CID 113364998) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
PubChem CID113364998
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCC2(C)CCCC2)C1OC
InChIInChI=1S/C14H27NO2/c1-4-17-12-9-11(13(12)16-3)15-10-14(2)7-5-6-8-14/h11-13,15H,4-10H2,1-3H3
InChIKeyXWDHGDZKFXEFEE-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine (CID 113364998) is 3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine is CCOC1CC(NCC2(C)CCCC2)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
The InChIKey is XWDHGDZKFXEFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-17-12-9-11(13(12)16-3)15-10-14(2)7-5-6-8-14/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 6 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-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 113364998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).