2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone

C13H26N2O2 — CID 65053017

IUPAC2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone
SMILESCCC(C)(CN)OCC(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-13(2,11-14)17-10-12(16)15-8-6-4-5-7-9-15/h3-11,14H2,1-2H3
InChIKeyCOWPDJXQTYQQPA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds5

About 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone

2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone (PubChem CID 65053017) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone
PubChem CID65053017
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone
SMILESCCC(C)(CN)OCC(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-13(2,11-14)17-10-12(16)15-8-6-4-5-7-9-15/h3-11,14H2,1-2H3
InChIKeyCOWPDJXQTYQQPA-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-amino-2-methylbutan-2-yl)oxy-1-piperidin-1-ylethanone
CID 65053458
2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone
CID 65050963
2-(1-amino-2-methylpropan-2-yl)oxy-1-pyrrolidin-1-ylethanone
CID 65053500
2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one
CID 65053236
(2-oxo-2-piperidin-1-ylethyl) propanoate
CID 57259337
2-(1-amino-2-methylbutan-2-yl)oxy-N,N-dimethylacetamide
CID 65053796
2-(1-amino-2-methylbutan-2-yl)oxy-N,N-diethylacetamide
CID 65053795
(2-oxo-2-piperidin-1-ylethyl) carbamate
CID 175217966
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
1-(azepan-1-yl)propan-1-one
CID 3613534
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155051717
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone (CID 65053017) is 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone is CCC(C)(CN)OCC(=O)N1CCCCCC1.
What is the InChIKey of 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone?
The InChIKey is COWPDJXQTYQQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-13(2,11-14)17-10-12(16)15-8-6-4-5-7-9-15/h3-11,14H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone?
2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone has a molecular weight of 242.36 g/mol, XLogP of 1.53, 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)ethanone is sourced from PubChem (CID 65053017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).