2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one

C14H28N2O2 — CID 65053236

IUPAC2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one
SMILESCCC(C)(CN)OC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-4-14(3,11-15)18-12(2)13(17)16-9-7-5-6-8-10-16/h12H,4-11,15H2,1-3H3
InChIKeyNJIQRKJCWHAEMB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.92
Rot. Bonds5

About 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one

2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one (PubChem CID 65053236) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one
PubChem CID65053236
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one
SMILESCCC(C)(CN)OC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-4-14(3,11-15)18-12(2)13(17)16-9-7-5-6-8-10-16/h12H,4-11,15H2,1-3H3
InChIKeyNJIQRKJCWHAEMB-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-2-methylbutan-2-yl)oxy-1-piperidin-1-ylethanone
CID 65053458
2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone
CID 65053017
2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one
CID 43128287
ethyl 2-(azepane-1-carbonyl)-3,3-dimethylbutanoate
CID 116537599
ethyl 2-(azocane-1-carbonyl)-3,3-dimethylbutanoate
CID 116537712
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79662316
2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65050882
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
(2R)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943619
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] acetate
CID 168848786
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one?
The IUPAC name of 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one (CID 65053236) is 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one.
What is the SMILES notation for 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one?
The canonical SMILES for 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one is CCC(C)(CN)OC(C)C(=O)N1CCCCCC1.
What is the InChIKey of 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one?
The InChIKey is NJIQRKJCWHAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-14(3,11-15)18-12(2)13(17)16-9-7-5-6-8-10-16/h12H,4-11,15H2,1-3H3.
What are the key properties of 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one?
2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one is sourced from PubChem (CID 65053236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).