1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one

C15H28N2O — CID 104747242

IUPAC1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one
SMILESCNC(CN1CCCCCCC1=O)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-16-14(13-8-5-6-9-13)12-17-11-7-3-2-4-10-15(17)18/h13-14,16H,2-12H2,1H3
InChIKeyNDIXZXQKJBQFNW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds4

About 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one

1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one (PubChem CID 104747242) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one.

Molecular Properties

Compound Name1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one
PubChem CID104747242
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one
SMILESCNC(CN1CCCCCCC1=O)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-16-14(13-8-5-6-9-13)12-17-11-7-3-2-4-10-15(17)18/h13-14,16H,2-12H2,1H3
InChIKeyNDIXZXQKJBQFNW-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-cyclohexyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 113448405
5-tert-butyl-1-[2-cyclopentyl-2-(methylamino)ethyl]azepan-2-one
CID 104747795
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
CID 104753129
1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748210
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
1-[2-cyclopropyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 63914391
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane
CID 143141942
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propan-2-ylazepan-2-one
CID 104747789
1-[2-cyclopropyl-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
CID 79936382

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one?
The IUPAC name of 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one (CID 104747242) is 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one.
What is the SMILES notation for 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one?
The canonical SMILES for 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one is CNC(CN1CCCCCCC1=O)C1CCCC1.
What is the InChIKey of 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one?
The InChIKey is NDIXZXQKJBQFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-14(13-8-5-6-9-13)12-17-11-7-3-2-4-10-15(17)18/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one?
1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one is sourced from PubChem (CID 104747242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).