N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide

C13H22IN3O — CID 71925851

IUPACN'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCCN/C(=N\Cc1ccco1)N1CCCC1.I
InChIInChI=1S/C13H21N3O.HI/c1-2-7-14-13(16-8-3-4-9-16)15-11-12-6-5-10-17-12;/h5-6,10H,2-4,7-9,11H2,1H3,(H,14,15);1H
InChIKeyODHVAZRQJGVYPZ-UHFFFAOYSA-N
MW363.24 g/mol
LogP2.85
Rot. Bonds4

About N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide

N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 71925851) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID71925851
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC NameN'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCCN/C(=N\Cc1ccco1)N1CCCC1.I
InChIInChI=1S/C13H21N3O.HI/c1-2-7-14-13(16-8-3-4-9-16)15-11-12-6-5-10-17-12;/h5-6,10H,2-4,7-9,11H2,1H3,(H,14,15);1H
InChIKeyODHVAZRQJGVYPZ-UHFFFAOYSA-N
XLogP2.85
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
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

N-ethyl-N'-(furan-2-ylmethyl)-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186043
N-[2-(furan-2-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111493012
N-ethyl-N'-(furan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205123
2-(furan-2-ylmethyl)-1-propylguanidine
CID 62362161
2-[[[2-(furan-2-yl)ethylamino]-piperidin-1-ylmethylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053887
N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 57320892
4-acetyl-N'-benzyl-N-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110963562
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 110053900
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427617
N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984233
N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 111492934

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide (CID 71925851) is N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide is CCCN/C(=N\Cc1ccco1)N1CCCC1.I.
What is the InChIKey of N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ODHVAZRQJGVYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.HI/c1-2-7-14-13(16-8-3-4-9-16)15-11-12-6-5-10-17-12;/h5-6,10H,2-4,7-9,11H2,1H3,(H,14,15);1H.
What are the key properties of N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide?
N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 363.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N-propylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 71925851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).