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

C13H25NO3 — CID 62611729

IUPAC2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one
SMILESCOCCN(CC1CCCC1=O)C(C)COC
InChIInChI=1S/C13H25NO3/c1-11(10-17-3)14(7-8-16-2)9-12-5-4-6-13(12)15/h11-12H,4-10H2,1-3H3
InChIKeyIGWKDPNCMZTVIN-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.34
Rot. Bonds8

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

2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one (PubChem CID 62611729) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one
PubChem CID62611729
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one
SMILESCOCCN(CC1CCCC1=O)C(C)COC
InChIInChI=1S/C13H25NO3/c1-11(10-17-3)14(7-8-16-2)9-12-5-4-6-13(12)15/h11-12H,4-10H2,1-3H3
InChIKeyIGWKDPNCMZTVIN-UHFFFAOYSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one (CID 62611729) is 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one is COCCN(CC1CCCC1=O)C(C)COC.
What is the InChIKey of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one?
The InChIKey is IGWKDPNCMZTVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(10-17-3)14(7-8-16-2)9-12-5-4-6-13(12)15/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one?
2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one has a molecular weight of 243.35 g/mol, XLogP of 1.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 62611729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).