2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine

C11H18N2O — CID 116679692

IUPAC2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
SMILESc1coc(CCNCCC2CNC2)c1
InChIInChI=1S/C11H18N2O/c1-2-11(14-7-1)4-6-12-5-3-10-8-13-9-10/h1-2,7,10,12-13H,3-6,8-9H2
InChIKeyAEFSJSAGDVPNSG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.02
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine

2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine (PubChem CID 116679692) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
PubChem CID116679692
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
SMILESc1coc(CCNCCC2CNC2)c1
InChIInChI=1S/C11H18N2O/c1-2-11(14-7-1)4-6-12-5-3-10-8-13-9-10/h1-2,7,10,12-13H,3-6,8-9H2
InChIKeyAEFSJSAGDVPNSG-UHFFFAOYSA-N
XLogP1.02
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.02
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-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 116679693
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
N-[2-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 43395506
2-[2-(furan-2-yl)ethylamino]ethanesulfonamide
CID 114384896
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
CID 61470977
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 65086403
2-(furan-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60695276
3-N-[2-(furan-2-yl)ethyl]cyclopentane-1,3-diamine
CID 79462115
2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 82889367

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine (CID 116679692) is 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine is c1coc(CCNCCC2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine?
The InChIKey is AEFSJSAGDVPNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-11(14-7-1)4-6-12-5-3-10-8-13-9-10/h1-2,7,10,12-13H,3-6,8-9H2.
What are the key properties of 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine?
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.02, 6 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-[2-(furan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 116679692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).