2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one

C14H27NO2 — CID 62613058

IUPAC2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one
SMILESCCC(CC)N(CCOC)CC1CCCC1=O
InChIInChI=1S/C14H27NO2/c1-4-13(5-2)15(9-10-17-3)11-12-7-6-8-14(12)16/h12-13H,4-11H2,1-3H3
InChIKeyNAOJEVBZMYNELR-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds8

About 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one (PubChem CID 62613058) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one
PubChem CID62613058
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one
SMILESCCC(CC)N(CCOC)CC1CCCC1=O
InChIInChI=1S/C14H27NO2/c1-4-13(5-2)15(9-10-17-3)11-12-7-6-8-14(12)16/h12-13H,4-11H2,1-3H3
InChIKeyNAOJEVBZMYNELR-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one (CID 62613058) is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one is CCC(CC)N(CCOC)CC1CCCC1=O.
What is the InChIKey of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one?
The InChIKey is NAOJEVBZMYNELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-13(5-2)15(9-10-17-3)11-12-7-6-8-14(12)16/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one?
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 62613058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).