1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone

C11H22N2O2 — CID 14499650

IUPAC1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
SMILESCN(CCO)CC(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O2/c1-12(8-9-14)10-11(15)13-6-4-2-3-5-7-13/h14H,2-10H2,1H3
InChIKeyMQRKUAPYLRXRHR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.31
Rot. Bonds4

About 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone

1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone (PubChem CID 14499650) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
PubChem CID14499650
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
SMILESCN(CCO)CC(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O2/c1-12(8-9-14)10-11(15)13-6-4-2-3-5-7-13/h14H,2-10H2,1H3
InChIKeyMQRKUAPYLRXRHR-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone (CID 14499650) is 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone is CN(CCO)CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
The InChIKey is MQRKUAPYLRXRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12(8-9-14)10-11(15)13-6-4-2-3-5-7-13/h14H,2-10H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone?
1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone is sourced from PubChem (CID 14499650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).