5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol

C13H23NO2 — CID 103898963

IUPAC5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NCC(C)(C)CCCO)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-11(12-5-8-16-9-12)14-10-13(2,3)6-4-7-15/h5,8-9,11,14-15H,4,6-7,10H2,1-3H3
InChIKeyYPPMZNAFJJCZGI-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.73
Rot. Bonds7

About 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol

5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103898963) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID103898963
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NCC(C)(C)CCCO)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-11(12-5-8-16-9-12)14-10-13(2,3)6-4-7-15/h5,8-9,11,14-15H,4,6-7,10H2,1-3H3
InChIKeyYPPMZNAFJJCZGI-UHFFFAOYSA-N
XLogP2.73
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol
CID 103898870
1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol
CID 115719534
4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 103911194
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926019
3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
CID 106144463
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893
5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898959
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896
3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 103787561
1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
CID 115719585
(1S)-1-(furan-3-yl)butane-1,4-diol
CID 129362358

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol (CID 103898963) is 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol is CC(NCC(C)(C)CCCO)c1ccoc1.
What is the InChIKey of 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is YPPMZNAFJJCZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(12-5-8-16-9-12)14-10-13(2,3)6-4-7-15/h5,8-9,11,14-15H,4,6-7,10H2,1-3H3.
What are the key properties of 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol?
5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103898963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).