1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide

C10H15BrIN3O — CID 119151152

IUPAC1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC=C(Br)CN/C(=N\C)NCc1ccoc1.I
InChIInChI=1S/C10H14BrN3O.HI/c1-8(11)5-13-10(12-2)14-6-9-3-4-15-7-9;/h3-4,7H,1,5-6H2,2H3,(H2,12,13,14);1H
InChIKeyOJGSANWDXLGAQK-UHFFFAOYSA-N
MW400.06 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide

1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 119151152) has the molecular formula C10H15BrIN3O and a molecular weight of 400.06 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
PubChem CID119151152
Molecular FormulaC10H15BrIN3O
Molecular Weight400.06 g/mol
Exact Mass398.94
IUPAC Name1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC=C(Br)CN/C(=N\C)NCc1ccoc1.I
InChIInChI=1S/C10H14BrN3O.HI/c1-8(11)5-13-10(12-2)14-6-9-3-4-15-7-9;/h3-4,7H,1,5-6H2,2H3,(H2,12,13,14);1H
InChIKeyOJGSANWDXLGAQK-UHFFFAOYSA-N
XLogP2.47
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.06
LogP ≤ 52.47
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-(2-chloroprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119141140
1-[(4-bromothiophen-2-yl)methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151262
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119141862
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151160
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(furan-3-ylmethyl)-2-methylguanidine
CID 119141863
1-(furan-3-ylmethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119130018
1-[(5-fluoro-2-methylsulfanylphenyl)methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119142253
1-(1,4-dioxan-2-ylmethyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151246
1-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine
CID 119151151
1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
CID 119151203
1-(furan-3-ylmethyl)-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 119151154
1-(2-bromoprop-2-enyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 130615897

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide (CID 119151152) is 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide is C=C(Br)CN/C(=N\C)NCc1ccoc1.I.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is OJGSANWDXLGAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O.HI/c1-8(11)5-13-10(12-2)14-6-9-3-4-15-7-9;/h3-4,7H,1,5-6H2,2H3,(H2,12,13,14);1H.
What are the key properties of 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide?
1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 400.06 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119151152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).