2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide

C14H20IN3 — CID 110983175

IUPAC2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NC1CC1c1ccccc1.I
InChIInChI=1S/C14H19N3.HI/c1-3-9-16-14(15-2)17-13-10-12(13)11-7-5-4-6-8-11;/h3-8,12-13H,1,9-10H2,2H3,(H2,15,16,17);1H
InChIKeyXVOGITZTTFLMJX-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide

2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110983175) has the molecular formula C14H20IN3 and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide
PubChem CID110983175
Molecular FormulaC14H20IN3
Molecular Weight357.24 g/mol
Exact Mass357.07
IUPAC Name2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NC1CC1c1ccccc1.I
InChIInChI=1S/C14H19N3.HI/c1-3-9-16-14(15-2)17-13-10-12(13)11-7-5-4-6-8-11;/h3-8,12-13H,1,9-10H2,2H3,(H2,15,16,17);1H
InChIKeyXVOGITZTTFLMJX-UHFFFAOYSA-N
XLogP2.51
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
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

1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
CID 110918454
2-methyl-1-(2-phenylcyclopropyl)-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940648
2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111705932
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111325579
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111203097
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111263084
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111321564
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(2-phenylcyclopropyl)guanidine
CID 111844166
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(2-phenylcyclopropyl)guanidine
CID 111613630
2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703340
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111556443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide (CID 110983175) is 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NC1CC1c1ccccc1.I.
What is the InChIKey of 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is XVOGITZTTFLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.HI/c1-3-9-16-14(15-2)17-13-10-12(13)11-7-5-4-6-8-11;/h3-8,12-13H,1,9-10H2,2H3,(H2,15,16,17);1H.
What are the key properties of 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide?
2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 357.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110983175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).