4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine

C12H20N2O2 — CID 66263072

IUPAC4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine
SMILESCC1(CNCCc2ccco2)COCC1N
InChIInChI=1S/C12H20N2O2/c1-12(9-15-7-11(12)13)8-14-5-4-10-3-2-6-16-10/h2-3,6,11,14H,4-5,7-9,13H2,1H3
InChIKeyWXFZHZDDKNIXDH-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.78
Rot. Bonds5

About 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine

4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine (PubChem CID 66263072) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine
PubChem CID66263072
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine
SMILESCC1(CNCCc2ccco2)COCC1N
InChIInChI=1S/C12H20N2O2/c1-12(9-15-7-11(12)13)8-14-5-4-10-3-2-6-16-10/h2-3,6,11,14H,4-5,7-9,13H2,1H3
InChIKeyWXFZHZDDKNIXDH-UHFFFAOYSA-N
XLogP0.78
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.78
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

4-[1-[[2-(furan-2-yl)ethylamino]methyl]cyclopropyl]aniline
CID 112558089
[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 116679692
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
2-(furan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 63142896
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 80567501
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
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-[2-(furan-2-yl)ethyl]propan-1-amine
CID 116679693
N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
CID 81102042
1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
CID 61470415

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine (CID 66263072) is 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine is CC1(CNCCc2ccco2)COCC1N.
What is the InChIKey of 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine?
The InChIKey is WXFZHZDDKNIXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(9-15-7-11(12)13)8-14-5-4-10-3-2-6-16-10/h2-3,6,11,14H,4-5,7-9,13H2,1H3.
What are the key properties of 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine?
4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine has a molecular weight of 224.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)ethylamino]methyl]-4-methyloxolan-3-amine is sourced from PubChem (CID 66263072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).