2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol

C10H17NO3 — CID 115876595

IUPAC2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
SMILESCc1cc(CNC(CO)CO)c(C)o1
InChIInChI=1S/C10H17NO3/c1-7-3-9(8(2)14-7)4-11-10(5-12)6-13/h3,10-13H,4-6H2,1-2H3
InChIKeySDBRMCQYCXCOTC-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.34
Rot. Bonds5

About 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol

2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol (PubChem CID 115876595) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
PubChem CID115876595
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
SMILESCc1cc(CNC(CO)CO)c(C)o1
InChIInChI=1S/C10H17NO3/c1-7-3-9(8(2)14-7)4-11-10(5-12)6-13/h3,10-13H,4-6H2,1-2H3
InChIKeySDBRMCQYCXCOTC-UHFFFAOYSA-N
XLogP0.34
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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]-3-methylpentan-1-ol
CID 115876546
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
(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
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
(2,5-dimethylfuran-3-yl)methanol
CID 10396847
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115876307
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056
4-[(2,5-dimethylfuran-3-yl)methylamino]butan-2-ol
CID 115876404
methyl (2S,3R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-3-hydroxybutanoate
CID 99779095

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol (CID 115876595) is 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol is Cc1cc(CNC(CO)CO)c(C)o1.
What is the InChIKey of 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol?
The InChIKey is SDBRMCQYCXCOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-3-9(8(2)14-7)4-11-10(5-12)6-13/h3,10-13H,4-6H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol?
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol has a molecular weight of 199.25 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 115876595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).