2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide

C12H25IN4 — CID 111034802

IUPAC2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCN1CCCC1.I
InChIInChI=1S/C12H24N4.HI/c1-11(2)10-15-12(13)14-6-5-9-16-7-3-4-8-16;/h1,3-10H2,2H3,(H3,13,14,15);1H
InChIKeyZWLLNNOYFLOSLS-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.57
Rot. Bonds6

About 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide

2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide (PubChem CID 111034802) has the molecular formula C12H25IN4 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
PubChem CID111034802
Molecular FormulaC12H25IN4
Molecular Weight352.26 g/mol
Exact Mass352.11
IUPAC Name2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCN1CCCC1.I
InChIInChI=1S/C12H24N4.HI/c1-11(2)10-15-12(13)14-6-5-9-16-7-3-4-8-16;/h1,3-10H2,2H3,(H3,13,14,15);1H
InChIKeyZWLLNNOYFLOSLS-UHFFFAOYSA-N
XLogP1.57
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-(2-Methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 75533013
2-(2-Methylprop-2-enyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111065479
2-(2-Methylprop-2-enyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111065480
2-(2-Methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111066520
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
CID 100673187
2-(2-Methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 110924457
2-(2-Methyl-3-pyrrolidin-1-ylpropyl)-1-propylguanidine;hydroiodide
CID 110924458
2-(2-Methylpropyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 110924461
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide (CID 111034802) is 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCCN1CCCC1.I.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is ZWLLNNOYFLOSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4.HI/c1-11(2)10-15-12(13)14-6-5-9-16-7-3-4-8-16;/h1,3-10H2,2H3,(H3,13,14,15);1H.
What are the key properties of 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide?
2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 352.26 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111034802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).