1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine

C14H21N3O2 — CID 119141666

IUPAC1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C14H21N3O2/c1-6-7-16-13(15-5)17-9-14(4,18)12-8-10(2)19-11(12)3/h1,8,18H,7,9H2,2-5H3,(H2,15,16,17)
InChIKeyFCGNRJAGJIFFET-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.90
Rot. Bonds4

About 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine (PubChem CID 119141666) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine
PubChem CID119141666
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C14H21N3O2/c1-6-7-16-13(15-5)17-9-14(4,18)12-8-10(2)19-11(12)3/h1,8,18H,7,9H2,2-5H3,(H2,15,16,17)
InChIKeyFCGNRJAGJIFFET-UHFFFAOYSA-N
XLogP0.90
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine?
The IUPAC name of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine (CID 119141666) is 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine?
The canonical SMILES for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine is C#CCN/C(=N\C)NCC(C)(O)c1cc(C)oc1C.
What is the InChIKey of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine?
The InChIKey is FCGNRJAGJIFFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-6-7-16-13(15-5)17-9-14(4,18)12-8-10(2)19-11(12)3/h1,8,18H,7,9H2,2-5H3,(H2,15,16,17).
What are the key properties of 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine?
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine has a molecular weight of 263.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine is sourced from PubChem (CID 119141666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).