1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine

C17H25N3O2 — CID 120762509

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine
SMILESCOCC1(C/N=C(\N)NC2CCOc3ccccc32)CCC1
InChIInChI=1S/C17H25N3O2/c1-21-12-17(8-4-9-17)11-19-16(18)20-14-7-10-22-15-6-3-2-5-13(14)15/h2-3,5-6,14H,4,7-12H2,1H3,(H3,18,19,20)
InChIKeyXFJMFIITVZMNDY-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.23
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine

1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine (PubChem CID 120762509) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine
PubChem CID120762509
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine
SMILESCOCC1(C/N=C(\N)NC2CCOc3ccccc32)CCC1
InChIInChI=1S/C17H25N3O2/c1-21-12-17(8-4-9-17)11-19-16(18)20-14-7-10-22-15-6-3-2-5-13(14)15/h2-3,5-6,14H,4,7-12H2,1H3,(H3,18,19,20)
InChIKeyXFJMFIITVZMNDY-UHFFFAOYSA-N
XLogP2.23
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.23
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-(3,4-dihydro-2H-chromen-4-yl)-2-[(1-ethylcyclobutyl)methyl]guanidine
CID 111969300
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(dimethylamino)cyclopropyl]methyl]guanidine
CID 122099464
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-methyloxan-4-yl)methyl]guanidine
CID 119152242
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111599164
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111599561
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
1-(3,4-dihydro-2H-chromen-4-yl)-2-pentylguanidine
CID 111597420
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811584
2-(2-cyclobutyl-2-methylpropyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 122097645
1-(3,4-dihydro-2H-chromen-4-yl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 119146600
1-(3,4-dihydro-2H-chromen-4-yl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913382
2-(2-chloroprop-2-enyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 119147890

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine (CID 120762509) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine is COCC1(C/N=C(\N)NC2CCOc3ccccc32)CCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine?
The InChIKey is XFJMFIITVZMNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-21-12-17(8-4-9-17)11-19-16(18)20-14-7-10-22-15-6-3-2-5-13(14)15/h2-3,5-6,14H,4,7-12H2,1H3,(H3,18,19,20).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine has a molecular weight of 303.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(methoxymethyl)cyclobutyl]methyl]guanidine is sourced from PubChem (CID 120762509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).