1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide

C16H24IN3 — CID 111771151

IUPAC1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
SMILESCC/N=C(\NC1CC1)NC1CC1c1ccccc1C.I
InChIInChI=1S/C16H23N3.HI/c1-3-17-16(18-12-8-9-12)19-15-10-14(15)13-7-5-4-6-11(13)2;/h4-7,12,14-15H,3,8-10H2,1-2H3,(H2,17,18,19);1H
InChIKeyPDYPZTAEEQOFGO-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.19
Rot. Bonds4

About 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide

1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide (PubChem CID 111771151) has the molecular formula C16H24IN3 and a molecular weight of 385.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
PubChem CID111771151
Molecular FormulaC16H24IN3
Molecular Weight385.29 g/mol
Exact Mass385.10
IUPAC Name1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
SMILESCC/N=C(\NC1CC1)NC1CC1c1ccccc1C.I
InChIInChI=1S/C16H23N3.HI/c1-3-17-16(18-12-8-9-12)19-15-10-14(15)13-7-5-4-6-11(13)2;/h4-7,12,14-15H,3,8-10H2,1-2H3,(H2,17,18,19);1H
InChIKeyPDYPZTAEEQOFGO-UHFFFAOYSA-N
XLogP3.19
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.19
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'}

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Related Compounds

2-ethyl-1-(3-ethylsulfinylcyclohexyl)-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 109440834
1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111771296
2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019486
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770663
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979108
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111773586
2-ethyl-1-(3-ethylsulfinylcyclohexyl)-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 109440332
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979109
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111776660
1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
CID 111316104
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 109431887
2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine
CID 111190784

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide (CID 111771151) is 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide is CC/N=C(\NC1CC1)NC1CC1c1ccccc1C.I.
What is the InChIKey of 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide?
The InChIKey is PDYPZTAEEQOFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.HI/c1-3-17-16(18-12-8-9-12)19-15-10-14(15)13-7-5-4-6-11(13)2;/h4-7,12,14-15H,3,8-10H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide?
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide has a molecular weight of 385.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide is sourced from PubChem (CID 111771151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).