1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine

C20H23N3O — CID 119148293

IUPAC1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine
SMILESN/C(=N\C1CCOc2ccccc21)NC1CC1Cc1ccccc1
InChIInChI=1S/C20H23N3O/c21-20(22-17-10-11-24-19-9-5-4-8-16(17)19)23-18-13-15(18)12-14-6-2-1-3-7-14/h1-9,15,17-18H,10-13H2,(H3,21,22,23)
InChIKeyOXIFHEUFAJHAQY-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.05
Rot. Bonds4

About 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine

1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine (PubChem CID 119148293) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine.

Molecular Properties

Compound Name1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine
PubChem CID119148293
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine
SMILESN/C(=N\C1CCOc2ccccc21)NC1CC1Cc1ccccc1
InChIInChI=1S/C20H23N3O/c21-20(22-17-10-11-24-19-9-5-4-8-16(17)19)23-18-13-15(18)12-14-6-2-1-3-7-14/h1-9,15,17-18H,10-13H2,(H3,21,22,23)
InChIKeyOXIFHEUFAJHAQY-UHFFFAOYSA-N
XLogP3.05
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(3,4-dihydro-2H-chromen-4-yl)-1-[3-(2-methylphenyl)cyclobutyl]guanidine
CID 120679700
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine
CID 94480482
1-[3-(4-chlorophenyl)cyclobutyl]-2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 120663259
(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide
CID 120935072
(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
CID 102613735
2-(2-benzylcyclopropyl)-1-cyclohexylguanidine
CID 119148315
2-(2-chloroprop-2-enyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 119147890
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine
CID 111821957
2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide
CID 111337650
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-hydroxy-2,3-diphenylpropyl)guanidine;hydroiodide
CID 111821956
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(dimethylamino)cyclopropyl]methyl]guanidine
CID 122099464

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine?
The IUPAC name of 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine (CID 119148293) is 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine.
What is the SMILES notation for 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine?
The canonical SMILES for 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine is N/C(=N\C1CCOc2ccccc21)NC1CC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine?
The InChIKey is OXIFHEUFAJHAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c21-20(22-17-10-11-24-19-9-5-4-8-16(17)19)23-18-13-15(18)12-14-6-2-1-3-7-14/h1-9,15,17-18H,10-13H2,(H3,21,22,23).
What are the key properties of 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine?
1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine has a molecular weight of 321.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylcyclopropyl)-2-(3,4-dihydro-2H-chromen-4-yl)guanidine is sourced from PubChem (CID 119148293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).