2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone

C11H22N2O2 — CID 116634633

IUPAC2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
SMILESCCNCC(=O)N1CCCCCC1CO
InChIInChI=1S/C11H22N2O2/c1-2-12-8-11(15)13-7-5-3-4-6-10(13)9-14/h10,12,14H,2-9H2,1H3
InChIKeyXWAGZMBQDKBCCZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds4

About 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone

2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone (PubChem CID 116634633) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
PubChem CID116634633
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
SMILESCCNCC(=O)N1CCCCCC1CO
InChIInChI=1S/C11H22N2O2/c1-2-12-8-11(15)13-7-5-3-4-6-10(13)9-14/h10,12,14H,2-9H2,1H3
InChIKeyXWAGZMBQDKBCCZ-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-1-pyrrolidin-1-ylethanone
CID 70340184
2-(butan-2-ylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107218138
2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 142647484
4-ethoxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116635896
4-hydroxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116640578
2-(azetidin-3-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634525
2-tert-butylsulfanyl-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636535
1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005935
1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 83053784
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone?
The IUPAC name of 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone (CID 116634633) is 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone.
What is the SMILES notation for 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone?
The canonical SMILES for 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone is CCNCC(=O)N1CCCCCC1CO.
What is the InChIKey of 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone?
The InChIKey is XWAGZMBQDKBCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-12-8-11(15)13-7-5-3-4-6-10(13)9-14/h10,12,14H,2-9H2,1H3.
What are the key properties of 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone?
2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone is sourced from PubChem (CID 116634633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).