1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone

C13H23NO2 — CID 116584347

IUPAC1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone
SMILESNCC1CCCC1C(=O)CC1CCOCC1
InChIInChI=1S/C13H23NO2/c14-9-11-2-1-3-12(11)13(15)8-10-4-6-16-7-5-10/h10-12H,1-9,14H2
InChIKeyLMQZTFNYTQIYDF-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.75
Rot. Bonds4

About 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone

1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone (PubChem CID 116584347) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone
PubChem CID116584347
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone
SMILESNCC1CCCC1C(=O)CC1CCOCC1
InChIInChI=1S/C13H23NO2/c14-9-11-2-1-3-12(11)13(15)8-10-4-6-16-7-5-10/h10-12H,1-9,14H2
InChIKeyLMQZTFNYTQIYDF-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)cyclohexyl]-2-(oxan-4-yl)ethanone
CID 116584632
1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone
CID 116584345
1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone
CID 116587534
1-(2-aminocyclopentyl)-2-cyclopentylethanone
CID 116580222
1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one
CID 116584185
2-(aminomethyl)-N-morpholin-4-ylcyclopentane-1-carboxamide
CID 83015994
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone
CID 157249668
1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone
CID 114969184
1-[2-(aminomethyl)cyclopentyl]-2-(1,3-thiazol-2-yl)ethanone
CID 116584260
1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone
CID 130764012
trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
CID 84716638

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone (CID 116584347) is 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone is NCC1CCCC1C(=O)CC1CCOCC1.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone?
The InChIKey is LMQZTFNYTQIYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-9-11-2-1-3-12(11)13(15)8-10-4-6-16-7-5-10/h10-12H,1-9,14H2.
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone?
1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 116584347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).