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

C10H16N2O — CID 116680458

IUPAC2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine
SMILESc1cc(CNCCC2CNC2)co1
InChIInChI=1S/C10H16N2O/c1(9-5-12-6-9)3-11-7-10-2-4-13-8-10/h2,4,8-9,11-12H,1,3,5-7H2
InChIKeyQJIFKWLFZIIKSI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.98
Rot. Bonds5

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

2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 116680458) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine
PubChem CID116680458
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine
SMILESc1cc(CNCCC2CNC2)co1
InChIInChI=1S/C10H16N2O/c1(9-5-12-6-9)3-11-7-10-2-4-13-8-10/h2,4,8-9,11-12H,1,3,5-7H2
InChIKeyQJIFKWLFZIIKSI-UHFFFAOYSA-N
XLogP0.98
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.98
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

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
(3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol
CID 126847141
2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 116679496
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
CID 79038889
2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 116680120
2-(3,4-dimethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 79183774
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-(furan-3-ylmethyl)methanamine
CID 115750546
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 116679692
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552
(E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine
CID 107900370
1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine
CID 115774680

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine (CID 116680458) is 2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine is c1cc(CNCCC2CNC2)co1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is QJIFKWLFZIIKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1(9-5-12-6-9)3-11-7-10-2-4-13-8-10/h2,4,8-9,11-12H,1,3,5-7H2.
What are the key properties of 2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine?
2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 0.98, 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-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 116680458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).