1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol

C12H21NO2 — CID 115719585

IUPAC1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
SMILESCCC(C)C(O)CNC(C)c1ccoc1
InChIInChI=1S/C12H21NO2/c1-4-9(2)12(14)7-13-10(3)11-5-6-15-8-11/h5-6,8-10,12-14H,4,7H2,1-3H3
InChIKeyJQUMYGMVIWPSMC-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.34
Rot. Bonds6

About 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol

1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol (PubChem CID 115719585) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
PubChem CID115719585
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
SMILESCCC(C)C(O)CNC(C)c1ccoc1
InChIInChI=1S/C12H21NO2/c1-4-9(2)12(14)7-13-10(3)11-5-6-15-8-11/h5-6,8-10,12-14H,4,7H2,1-3H3
InChIKeyJQUMYGMVIWPSMC-UHFFFAOYSA-N
XLogP2.34
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427
1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol
CID 115719534
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130804211
(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923
N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 115722148
1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 115710253
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
CID 171231952
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine
CID 115893822
5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898963

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol?
The IUPAC name of 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol (CID 115719585) is 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol.
What is the SMILES notation for 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol?
The canonical SMILES for 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol is CCC(C)C(O)CNC(C)c1ccoc1.
What is the InChIKey of 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol?
The InChIKey is JQUMYGMVIWPSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-9(2)12(14)7-13-10(3)11-5-6-15-8-11/h5-6,8-10,12-14H,4,7H2,1-3H3.
What are the key properties of 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol?
1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol has a molecular weight of 211.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol is sourced from PubChem (CID 115719585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).