2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone

C11H22N2O3 — CID 107404270

IUPAC2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC1(O)CCCN(C(=O)COCCN)CC1
InChIInChI=1S/C11H22N2O3/c1-11(15)3-2-6-13(7-4-11)10(14)9-16-8-5-12/h15H,2-9,12H2,1H3
InChIKeyRYXVAHFHWAXJTA-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.27
Rot. Bonds4

About 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone

2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone (PubChem CID 107404270) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
PubChem CID107404270
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC1(O)CCCN(C(=O)COCCN)CC1
InChIInChI=1S/C11H22N2O3/c1-11(15)3-2-6-13(7-4-11)10(14)9-16-8-5-12/h15H,2-9,12H2,1H3
InChIKeyRYXVAHFHWAXJTA-UHFFFAOYSA-N
XLogP-0.27
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-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

1-(4-Hydroxy-4-methylazepan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 107406568
4-Ethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067508
(2R,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069917
4-Ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069925
4-Ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070062
(2R,6R)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070223
(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070227
7-Oxa-2,10-diazaspiro[5.6]dodecan-9-one
CID 168255454
N-methyl-2-[3-[(4S)-4-methylazepan-1-yl]propoxy]acetamide
CID 174312889
2-[3-(Aminomethyl)pentan-3-yloxy]-1-(azepan-1-yl)ethanone
CID 65050635
2-[1-(Aminomethyl)cyclopentyl]oxy-1-(azepan-1-yl)ethanone
CID 65051027
2-[3-(Aminomethyl)pentan-3-yloxy]-1-(azepan-1-yl)propan-1-one
CID 65051131

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone (CID 107404270) is 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone is CC1(O)CCCN(C(=O)COCCN)CC1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The InChIKey is RYXVAHFHWAXJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(15)3-2-6-13(7-4-11)10(14)9-16-8-5-12/h15H,2-9,12H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone has a molecular weight of 230.31 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone is sourced from PubChem (CID 107404270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).