2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol

C11H24N2O2 — CID 107173264

IUPAC2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
SMILESCN(CCOCCO)C1CCCNCC1
InChIInChI=1S/C11H24N2O2/c1-13(7-9-15-10-8-14)11-3-2-5-12-6-4-11/h11-12,14H,2-10H2,1H3
InChIKeyALFSHEBRZUHPHW-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.07
Rot. Bonds6

About 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol

2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol (PubChem CID 107173264) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
PubChem CID107173264
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
SMILESCN(CCOCCO)C1CCCNCC1
InChIInChI=1S/C11H24N2O2/c1-13(7-9-15-10-8-14)11-3-2-5-12-6-4-11/h11-12,14H,2-10H2,1H3
InChIKeyALFSHEBRZUHPHW-UHFFFAOYSA-N
XLogP0.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104565100
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
N-methyl-N-(3-methylbut-3-enyl)azepan-4-amine
CID 107173356
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]azepan-4-amine
CID 107173387
butane;ethane;N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 144963014
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
4-[azepan-4-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 107173206
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine
CID 104565137
ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
CID 176920815

Frequently Asked Questions

What is the IUPAC name of 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol (CID 107173264) is 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol is CN(CCOCCO)C1CCCNCC1.
What is the InChIKey of 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol?
The InChIKey is ALFSHEBRZUHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-13(7-9-15-10-8-14)11-3-2-5-12-6-4-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol?
2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol has a molecular weight of 216.32 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol is sourced from PubChem (CID 107173264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).