3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide

C9H18IN3 — CID 130626143

IUPAC3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC=CC/N=C(\N)N1CCC(C)C1.I
InChIInChI=1S/C9H17N3.HI/c1-3-5-11-9(10)12-6-4-8(2)7-12;/h3,8H,1,4-7H2,2H3,(H2,10,11);1H
InChIKeyYRZRZSTYPHVQLB-UHFFFAOYSA-N
MW295.17 g/mol
LogP1.45
Rot. Bonds2

About 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide

3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 130626143) has the molecular formula C9H18IN3 and a molecular weight of 295.17 g/mol. Its IUPAC name is 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID130626143
Molecular FormulaC9H18IN3
Molecular Weight295.17 g/mol
Exact Mass295.05
IUPAC Name3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC=CC/N=C(\N)N1CCC(C)C1.I
InChIInChI=1S/C9H17N3.HI/c1-3-5-11-9(10)12-6-4-8(2)7-12;/h3,8H,1,4-7H2,2H3,(H2,10,11);1H
InChIKeyYRZRZSTYPHVQLB-UHFFFAOYSA-N
XLogP1.45
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(3-methylbut-2-enyl)pyrrolidine-1-carboximidamide
CID 10866957
N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 20383385
5-Propan-2-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496901
N-ethyl-3,3-dimethyl-N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 99848180
2-(3-Methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide
CID 110927036
2-Methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110980070
2-Methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 110980071
1-Ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110980072
1-Ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 110980073
1-Ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982000
1-Ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
CID 110982001
1-[(1-Ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982006

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide (CID 130626143) is 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide is C=CC/N=C(\N)N1CCC(C)C1.I.
What is the InChIKey of 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is YRZRZSTYPHVQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.HI/c1-3-5-11-9(10)12-6-4-8(2)7-12;/h3,8H,1,4-7H2,2H3,(H2,10,11);1H.
What are the key properties of 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide?
3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 295.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 130626143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).