2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

C10H20N2O — CID 116679543

IUPAC2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1COC(CNCCC2CNC2)C1
InChIInChI=1S/C10H20N2O/c1-2-10(13-5-1)8-11-4-3-9-6-12-7-9/h9-12H,1-8H2
InChIKeyVGNLEKFPKQHNLI-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.36
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 116679543) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID116679543
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1COC(CNCCC2CNC2)C1
InChIInChI=1S/C10H20N2O/c1-2-10(13-5-1)8-11-4-3-9-6-12-7-9/h9-12H,1-8H2
InChIKeyVGNLEKFPKQHNLI-UHFFFAOYSA-N
XLogP0.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 63714544
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81043624
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
3-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66004196
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 116679543) is 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is C1COC(CNCCC2CNC2)C1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is VGNLEKFPKQHNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-10(13-5-1)8-11-4-3-9-6-12-7-9/h9-12H,1-8H2.
What are the key properties of 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 184.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 116679543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).