1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone

C13H25NO2 — CID 104750248

IUPAC1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone
SMILESCCN(CC(=O)C1CCCC1)C(C)COC
InChIInChI=1S/C13H25NO2/c1-4-14(11(2)10-16-3)9-13(15)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3
InChIKeySHNXOVQNVVLDOD-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds7

About 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone

1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone (PubChem CID 104750248) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone
PubChem CID104750248
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone
SMILESCCN(CC(=O)C1CCCC1)C(C)COC
InChIInChI=1S/C13H25NO2/c1-4-14(11(2)10-16-3)9-13(15)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3
InChIKeySHNXOVQNVVLDOD-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanol
CID 113449107
1-cyclohexyl-2-[ethyl(2-methylpropyl)amino]ethanone
CID 104750015
methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
CID 63910940
1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
CID 104749946
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
N-(1-methoxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 60794013
1-cyclohexyl-2-[cyclopentyl(ethyl)amino]ethanone
CID 104750031
1-cyclohexyl-2-[2-methoxyethyl(3-methoxypropyl)amino]ethanone
CID 104750189
1-amino-2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 64820006
1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271215
ethyl 2-cyclopropyl-2-(ethylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 63910545
tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate
CID 165468490

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone?
The IUPAC name of 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone (CID 104750248) is 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone is CCN(CC(=O)C1CCCC1)C(C)COC.
What is the InChIKey of 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone?
The InChIKey is SHNXOVQNVVLDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-14(11(2)10-16-3)9-13(15)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone?
1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone has a molecular weight of 227.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone is sourced from PubChem (CID 104750248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).