[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol

C13H21NO2 — CID 115247111

IUPAC[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol
SMILESCc1ccc(CCNCC2(CO)CCC2)o1
InChIInChI=1S/C13H21NO2/c1-11-3-4-12(16-11)5-8-14-9-13(10-15)6-2-7-13/h3-4,14-15H,2,5-10H2,1H3
InChIKeyUIYCAMCOBGBAJR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds6

About [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol

[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol (PubChem CID 115247111) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol
PubChem CID115247111
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol
SMILESCc1ccc(CCNCC2(CO)CCC2)o1
InChIInChI=1S/C13H21NO2/c1-11-3-4-12(16-11)5-8-14-9-13(10-15)6-2-7-13/h3-4,14-15H,2,5-10H2,1H3
InChIKeyUIYCAMCOBGBAJR-UHFFFAOYSA-N
XLogP1.88
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
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-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243693
[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115435543
1-(hydroxymethyl)-N-[2-(5-methylfuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 115182418
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
CID 115235079
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663
[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81418469
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115362561
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106042522

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol (CID 115247111) is [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol is Cc1ccc(CCNCC2(CO)CCC2)o1.
What is the InChIKey of [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol?
The InChIKey is UIYCAMCOBGBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-3-4-12(16-11)5-8-14-9-13(10-15)6-2-7-13/h3-4,14-15H,2,5-10H2,1H3.
What are the key properties of [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol?
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 115247111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).