2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone

C13H24N2O2 — CID 64679754

IUPAC2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
SMILESCC1CN(C(=O)CC2(N)CCCC2)CCCO1
InChIInChI=1S/C13H24N2O2/c1-11-10-15(7-4-8-17-11)12(16)9-13(14)5-2-3-6-13/h11H,2-10,14H2,1H3
InChIKeyBLWJEHHNUCHXEC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.29
Rot. Bonds2

About 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone

2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone (PubChem CID 64679754) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
PubChem CID64679754
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
SMILESCC1CN(C(=O)CC2(N)CCCC2)CCCO1
InChIInChI=1S/C13H24N2O2/c1-11-10-15(7-4-8-17-11)12(16)9-13(14)5-2-3-6-13/h11H,2-10,14H2,1H3
InChIKeyBLWJEHHNUCHXEC-UHFFFAOYSA-N
XLogP1.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 64685311
2-(1-aminocyclobutyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 79851326
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64609795
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62973098
2-(1-aminocyclobutyl)-1-[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]ethanone
CID 124701295
(1-aminocyclopentyl)-(2-methylmorpholin-4-yl)methanone
CID 60867018
2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79854762
5-chloro-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62986786
3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62968735
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone (CID 64679754) is 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone is CC1CN(C(=O)CC2(N)CCCC2)CCCO1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone?
The InChIKey is BLWJEHHNUCHXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11-10-15(7-4-8-17-11)12(16)9-13(14)5-2-3-6-13/h11H,2-10,14H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone?
2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone is sourced from PubChem (CID 64679754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).