3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol

C13H23NO3 — CID 103699386

IUPAC3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccc(CO)o1
InChIInChI=1S/C13H23NO3/c1-3-10(4-2)13(16)8-14-7-11-5-6-12(9-15)17-11/h5-6,10,13-16H,3-4,7-9H2,1-2H3
InChIKeyFMXNENYVOBILSM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.66
Rot. Bonds8

About 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol

3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol (PubChem CID 103699386) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
PubChem CID103699386
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccc(CO)o1
InChIInChI=1S/C13H23NO3/c1-3-10(4-2)13(16)8-14-7-11-5-6-12(9-15)17-11/h5-6,10,13-16H,3-4,7-9H2,1-2H3
InChIKeyFMXNENYVOBILSM-UHFFFAOYSA-N
XLogP1.66
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol with MolForge

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Related Compounds

1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 103699609
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-phenylpropan-2-ol
CID 111466623
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide
CID 103657650
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466680
1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol
CID 111466747
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 106170960
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2,3-dimethylbutan-2-ol
CID 111466769
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol
CID 103866198

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol (CID 103699386) is 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol is CCC(CC)C(O)CNCc1ccc(CO)o1.
What is the InChIKey of 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol?
The InChIKey is FMXNENYVOBILSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-10(4-2)13(16)8-14-7-11-5-6-12(9-15)17-11/h5-6,10,13-16H,3-4,7-9H2,1-2H3.
What are the key properties of 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol?
3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol is sourced from PubChem (CID 103699386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).