2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine

C12H24N2O2 — CID 102656856

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine
SMILESCC1(OCCNCC2CCCCO2)CNC1
InChIInChI=1S/C12H24N2O2/c1-12(9-14-10-12)16-7-5-13-8-11-4-2-3-6-15-11/h11,13-14H,2-10H2,1H3
InChIKeyNOFIGEZDGKVHGL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.52
Rot. Bonds6

About 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine

2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 102656856) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine
PubChem CID102656856
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine
SMILESCC1(OCCNCC2CCCCO2)CNC1
InChIInChI=1S/C12H24N2O2/c1-12(9-14-10-12)16-7-5-13-8-11-4-2-3-6-15-11/h11,13-14H,2-10H2,1H3
InChIKeyNOFIGEZDGKVHGL-UHFFFAOYSA-N
XLogP0.52
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.52
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

2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide
CID 102611484
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82957862
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62844681
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine (CID 102656856) is 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine is CC1(OCCNCC2CCCCO2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is NOFIGEZDGKVHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(9-14-10-12)16-7-5-13-8-11-4-2-3-6-15-11/h11,13-14H,2-10H2,1H3.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine?
2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 228.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102656856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).