1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide

C13H20IN3O — CID 75418867

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NC1CCOc2ccccc21.I
InChIInChI=1S/C13H19N3O.HI/c1-2-8-15-13(14)16-11-7-9-17-12-6-4-3-5-10(11)12;/h3-6,11H,2,7-9H2,1H3,(H3,14,15,16);1H
InChIKeyJGQGTFWTLLOLRP-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.44
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide

1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide (PubChem CID 75418867) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
PubChem CID75418867
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NC1CCOc2ccccc21.I
InChIInChI=1S/C13H19N3O.HI/c1-2-8-15-13(14)16-11-7-9-17-12-6-4-3-5-10(11)12;/h3-6,11H,2,7-9H2,1H3,(H3,14,15,16);1H
InChIKeyJGQGTFWTLLOLRP-UHFFFAOYSA-N
XLogP2.44
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.44
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-2-pentylguanidine
CID 111597420
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 111600095
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-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111599164
N-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 119140657
1-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methyl-3-phenylbutyl)guanidine;hydrobromide
CID 155949639
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-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111598925
2-[2-(4-butoxyphenyl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111598438
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111598897
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018676
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 119140884

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide (CID 75418867) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide is CCC/N=C(\N)NC1CCOc2ccccc21.I.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide?
The InChIKey is JGQGTFWTLLOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.HI/c1-2-8-15-13(14)16-11-7-9-17-12-6-4-3-5-10(11)12;/h3-6,11H,2,7-9H2,1H3,(H3,14,15,16);1H.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide?
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide has a molecular weight of 361.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide is sourced from PubChem (CID 75418867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).