2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one

C13H26N2O2 — CID 107404378

IUPAC2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C13H26N2O2/c1-5-14-12(2,3)11(16)15-9-6-7-13(4,17)8-10-15/h14,17H,5-10H2,1-4H3
InChIKeyHWPUJQTWSWJGJU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds3

About 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one

2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one (PubChem CID 107404378) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
PubChem CID107404378
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C13H26N2O2/c1-5-14-12(2,3)11(16)15-9-6-7-13(4,17)8-10-15/h14,17H,5-10H2,1-4H3
InChIKeyHWPUJQTWSWJGJU-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62931262
1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 55156122
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
CID 63626151
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
2-tert-butylsulfanyl-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406310
2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 81103514
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 107405577
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126972962
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62836073
2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 62833921

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one (CID 107404378) is 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
The InChIKey is HWPUJQTWSWJGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-14-12(2,3)11(16)15-9-6-7-13(4,17)8-10-15/h14,17H,5-10H2,1-4H3.
What are the key properties of 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 107404378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).