1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine

C11H19N3O2 — CID 122082754

IUPAC1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine
SMILESCOCC(C)N/C(N)=N/Cc1occc1C
InChIInChI=1S/C11H19N3O2/c1-8-4-5-16-10(8)6-13-11(12)14-9(2)7-15-3/h4-5,9H,6-7H2,1-3H3,(H3,12,13,14)
InChIKeyGENXJBRTHOYLCD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.03
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine

1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine (PubChem CID 122082754) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine
PubChem CID122082754
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine
SMILESCOCC(C)N/C(N)=N/Cc1occc1C
InChIInChI=1S/C11H19N3O2/c1-8-4-5-16-10(8)6-13-11(12)14-9(2)7-15-3/h4-5,9H,6-7H2,1-3H3,(H3,12,13,14)
InChIKeyGENXJBRTHOYLCD-UHFFFAOYSA-N
XLogP1.03
TPSA72.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031466
2-[[4-(methoxymethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053894
2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide
CID 130597810
2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111817664
1-[(2S)-1-methoxypropan-2-yl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 129374903
1-(1-methoxypropan-2-yl)-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111813905
1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045402
2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111026675
1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine
CID 111031315
1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 75482122
1-(1-methoxypropan-2-yl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046375
2-[[4-(diethylaminomethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111036143

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine (CID 122082754) is 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine is COCC(C)N/C(N)=N/Cc1occc1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine?
The InChIKey is GENXJBRTHOYLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-4-5-16-10(8)6-13-11(12)14-9(2)7-15-3/h4-5,9H,6-7H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine?
1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine has a molecular weight of 225.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine is sourced from PubChem (CID 122082754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).