1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone

C14H25NO2 — CID 104750980

IUPAC1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone
SMILESCN(CCOCC1CC1)CC(=O)C1CCCC1
InChIInChI=1S/C14H25NO2/c1-15(8-9-17-11-12-6-7-12)10-14(16)13-4-2-3-5-13/h12-13H,2-11H2,1H3
InChIKeyWAALFMCRELYUBU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds8

About 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone

1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone (PubChem CID 104750980) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone
PubChem CID104750980
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone
SMILESCN(CCOCC1CC1)CC(=O)C1CCCC1
InChIInChI=1S/C14H25NO2/c1-15(8-9-17-11-12-6-7-12)10-14(16)13-4-2-3-5-13/h12-13H,2-11H2,1H3
InChIKeyWAALFMCRELYUBU-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432
1-cyclopentyl-2-[methyl(propyl)amino]ethanone
CID 104750008
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
1-cyclopropyl-2-[methyl(2-propan-2-yloxyethyl)amino]ethanone
CID 81057640
3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide
CID 106916459
2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide
CID 104750391
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498802
3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
CID 115686592
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119340577
N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103071055
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone?
The IUPAC name of 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone (CID 104750980) is 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone is CN(CCOCC1CC1)CC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone?
The InChIKey is WAALFMCRELYUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-15(8-9-17-11-12-6-7-12)10-14(16)13-4-2-3-5-13/h12-13H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone?
1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone is sourced from PubChem (CID 104750980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).