2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine

C12H20N2O — CID 116679693

IUPAC2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
SMILESCC(CNCCc1ccco1)C1CNC1
InChIInChI=1S/C12H20N2O/c1-10(11-8-14-9-11)7-13-5-4-12-3-2-6-15-12/h2-3,6,10-11,13-14H,4-5,7-9H2,1H3
InChIKeyGYXWQBSDWPFLHH-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.27
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine

2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 116679693) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
PubChem CID116679693
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine
SMILESCC(CNCCc1ccco1)C1CNC1
InChIInChI=1S/C12H20N2O/c1-10(11-8-14-9-11)7-13-5-4-12-3-2-6-15-12/h2-3,6,10-11,13-14H,4-5,7-9H2,1H3
InChIKeyGYXWQBSDWPFLHH-UHFFFAOYSA-N
XLogP1.27
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.27
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]ethanamine
CID 116679692
N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 63684806
N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 65232705
1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
CID 61470415
N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
CID 80544345
1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61024566
(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084833
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111501187
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
1-[2-(furan-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54907244
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine (CID 116679693) is 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine is CC(CNCCc1ccco1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is GYXWQBSDWPFLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(11-8-14-9-11)7-13-5-4-12-3-2-6-15-12/h2-3,6,10-11,13-14H,4-5,7-9H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine?
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 1.27, 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]propan-1-amine is sourced from PubChem (CID 116679693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).