2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol

C13H23NO2 — CID 115876546

IUPAC2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NCc1cc(C)oc1C
InChIInChI=1S/C13H23NO2/c1-5-9(2)13(8-15)14-7-12-6-10(3)16-11(12)4/h6,9,13-15H,5,7-8H2,1-4H3
InChIKeyLVJKBOKJDOMTJM-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.39
Rot. Bonds6

About 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol

2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol (PubChem CID 115876546) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
PubChem CID115876546
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NCc1cc(C)oc1C
InChIInChI=1S/C13H23NO2/c1-5-9(2)13(8-15)14-7-12-6-10(3)16-11(12)4/h6,9,13-15H,5,7-8H2,1-4H3
InChIKeyLVJKBOKJDOMTJM-UHFFFAOYSA-N
XLogP2.39
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
CID 103880707
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595
N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
N-[(2,5-dimethylfuran-3-yl)methyl]-1-methoxybutan-2-amine
CID 115876526
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115876307
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide
CID 103992303
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
CID 115688380
methyl (2S,3R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-3-hydroxybutanoate
CID 99779095
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
4-[(2,5-dimethylfuran-3-yl)methylamino]butan-2-ol
CID 115876404

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol?
The IUPAC name of 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol (CID 115876546) is 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol.
What is the SMILES notation for 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol?
The canonical SMILES for 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol is CCC(C)C(CO)NCc1cc(C)oc1C.
What is the InChIKey of 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol?
The InChIKey is LVJKBOKJDOMTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-9(2)13(8-15)14-7-12-6-10(3)16-11(12)4/h6,9,13-15H,5,7-8H2,1-4H3.
What are the key properties of 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol?
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol is sourced from PubChem (CID 115876546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).