3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one

C11H21NO2 — CID 79643865

IUPAC3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one
SMILESCCN(C(C)COC)C1CCC(=O)C1
InChIInChI=1S/C11H21NO2/c1-4-12(9(2)8-14-3)10-5-6-11(13)7-10/h9-10H,4-8H2,1-3H3
InChIKeyDBRZKNTXMVJXIA-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.46
Rot. Bonds5

About 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one

3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one (PubChem CID 79643865) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one
PubChem CID79643865
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one
SMILESCCN(C(C)COC)C1CCC(=O)C1
InChIInChI=1S/C11H21NO2/c1-4-12(9(2)8-14-3)10-5-6-11(13)7-10/h9-10H,4-8H2,1-3H3
InChIKeyDBRZKNTXMVJXIA-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one
CID 103189904
3-[ethyl(2-methoxyethyl)amino]cyclopentan-1-one
CID 79644212
3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one
CID 79643649
1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine
CID 80561797
3-[bis(2-methylpropyl)amino]cyclopentan-1-one
CID 79643153
3-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 79642440
3-[ethyl(2-methoxyethyl)amino]cyclohexan-1-one
CID 79618844
1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
CID 79618055
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79617939
3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655068
3-(dibutylamino)cyclopentan-1-one
CID 79644207

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one?
The IUPAC name of 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one (CID 79643865) is 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one is CCN(C(C)COC)C1CCC(=O)C1.
What is the InChIKey of 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one?
The InChIKey is DBRZKNTXMVJXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-12(9(2)8-14-3)10-5-6-11(13)7-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one?
3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentan-1-one is sourced from PubChem (CID 79643865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).