1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one

C11H22N2O — CID 103934825

IUPAC1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one
SMILESCCC1CCC(=O)N(C[C@@H](C)N)CC1
InChIInChI=1S/C11H22N2O/c1-3-10-4-5-11(14)13(7-6-10)8-9(2)12/h9-10H,3-8,12H2,1-2H3/t9-,10?/m1/s1
InChIKeyRGWQZHMBBHAFHZ-YHMJZVADSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds3

About 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one

1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one (PubChem CID 103934825) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one.

Molecular Properties

Compound Name1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one
PubChem CID103934825
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one
SMILESCCC1CCC(=O)N(C[C@@H](C)N)CC1
InChIInChI=1S/C11H22N2O/c1-3-10-4-5-11(14)13(7-6-10)8-9(2)12/h9-10H,3-8,12H2,1-2H3/t9-,10?/m1/s1
InChIKeyRGWQZHMBBHAFHZ-YHMJZVADSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one
CID 103935391
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethylazepan-2-one
CID 103366598
1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
CID 103935393
1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one
CID 104747788
1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one
CID 103934843
1-[(3-amino-4-bromophenyl)methyl]-5-ethylazepan-2-one
CID 115557375
1-(2-hydroxy-3-methoxypropyl)-5-propylazepan-2-one
CID 113237956
1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
CID 104753272
1-(2,3-dihydroxypropyl)-5-propan-2-ylazepan-2-one
CID 115773415
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-ethylazepan-2-one
CID 103072519
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
CID 107506266

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one?
The IUPAC name of 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one (CID 103934825) is 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one.
What is the SMILES notation for 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one?
The canonical SMILES for 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one is CCC1CCC(=O)N(C[C@@H](C)N)CC1.
What is the InChIKey of 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one?
The InChIKey is RGWQZHMBBHAFHZ-YHMJZVADSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-10-4-5-11(14)13(7-6-10)8-9(2)12/h9-10H,3-8,12H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one?
1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one is sourced from PubChem (CID 103934825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).