1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one

C16H30N2O2 — CID 104747771

IUPAC1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(CC(NC)C2CCOC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-4-13-5-6-16(19)18(9-7-13)11-15(17-2)14-8-10-20-12-14/h13-15,17H,3-12H2,1-2H3
InChIKeySYKYYLPOSSFSHB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds6

About 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one

1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one (PubChem CID 104747771) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one
PubChem CID104747771
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(CC(NC)C2CCOC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-4-13-5-6-16(19)18(9-7-13)11-15(17-2)14-8-10-20-12-14/h13-15,17H,3-12H2,1-2H3
InChIKeySYKYYLPOSSFSHB-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propan-2-ylazepan-2-one
CID 104747789
1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
CID 104747969
1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
CID 103935393
1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
CID 104753272
5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one
CID 104747795
2-(2,3-dihydroindol-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113447953
1-(2-hydroxy-3-methoxypropyl)-5-propylazepan-2-one
CID 113237956
1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
CID 107506266
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 104746479
2-(3-ethylmorpholin-4-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113448072
1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
CID 104747033
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,3-dione
CID 104747590

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one?
The IUPAC name of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one (CID 104747771) is 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one.
What is the SMILES notation for 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one?
The canonical SMILES for 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one is CCCC1CCC(=O)N(CC(NC)C2CCOC2)CC1.
What is the InChIKey of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one?
The InChIKey is SYKYYLPOSSFSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-4-13-5-6-16(19)18(9-7-13)11-15(17-2)14-8-10-20-12-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one?
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one has a molecular weight of 282.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one is sourced from PubChem (CID 104747771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).