3-[ethyl(2-hydroxyethyl)amino]azepan-2-one

C10H20N2O2 — CID 62021591

IUPAC3-[ethyl(2-hydroxyethyl)amino]azepan-2-one
SMILESCCN(CCO)C1CCCCNC1=O
InChIInChI=1S/C10H20N2O2/c1-2-12(7-8-13)9-5-3-4-6-11-10(9)14/h9,13H,2-8H2,1H3,(H,11,14)
InChIKeyAIIBSMRQAJAIJQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds4

About 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one

3-[ethyl(2-hydroxyethyl)amino]azepan-2-one (PubChem CID 62021591) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]azepan-2-one
PubChem CID62021591
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]azepan-2-one
SMILESCCN(CCO)C1CCCCNC1=O
InChIInChI=1S/C10H20N2O2/c1-2-12(7-8-13)9-5-3-4-6-11-10(9)14/h9,13H,2-8H2,1H3,(H,11,14)
InChIKeyAIIBSMRQAJAIJQ-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(2-hydroxyethyl)amino]azepan-2-one
CID 62021702
3-[2-aminoethyl(ethyl)amino]azepan-2-one
CID 61350282
3-[3-aminopropyl(propyl)amino]azepan-2-one
CID 43137367
3-[2-iodoethyl(methyl)amino]azepan-2-one
CID 131019285
3-[3-hydroxybutyl(methyl)amino]azepan-2-one
CID 115773325
3-[(2-aminophenyl)methyl-propylamino]azepan-2-one
CID 43459941
3-(2-amino-N-propylanilino)azepan-2-one
CID 63230674
2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 100655756
2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
CID 62052223
N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide
CID 166196584
3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one
CID 102875137
3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one
CID 106635412

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one (CID 62021591) is 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one is CCN(CCO)C1CCCCNC1=O.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one?
The InChIKey is AIIBSMRQAJAIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-12(7-8-13)9-5-3-4-6-11-10(9)14/h9,13H,2-8H2,1H3,(H,11,14).
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one?
3-[ethyl(2-hydroxyethyl)amino]azepan-2-one has a molecular weight of 200.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]azepan-2-one is sourced from PubChem (CID 62021591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).