1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide

C17H28IN3 — CID 111622665

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(C)cc1)NC1CC1C.I
InChIInChI=1S/C17H27N3.HI/c1-5-18-17(20-16-10-13(16)3)19-11-14(4)15-8-6-12(2)7-9-15;/h6-9,13-14,16H,5,10-11H2,1-4H3,(H2,18,19,20);1H
InChIKeyAEPUSUXJDDWHQO-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.68
Rot. Bonds5

About 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide

1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide (PubChem CID 111622665) has the molecular formula C17H28IN3 and a molecular weight of 401.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
PubChem CID111622665
Molecular FormulaC17H28IN3
Molecular Weight401.34 g/mol
Exact Mass401.13
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(C)cc1)NC1CC1C.I
InChIInChI=1S/C17H27N3.HI/c1-5-18-17(20-16-10-13(16)3)19-11-14(4)15-8-6-12(2)7-9-15;/h6-9,13-14,16H,5,10-11H2,1-4H3,(H2,18,19,20);1H
InChIKeyAEPUSUXJDDWHQO-UHFFFAOYSA-N
XLogP3.68
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.68
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-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962838
1-ethyl-2-[2-(4-methylphenyl)propyl]-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111622659
1-cyclopropyl-3-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 110988948
2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 109492515
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111622407
1-cyclopropyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110989416
1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621799
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111963483
1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 119141972
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethyl-2-[2-(4-methylphenyl)propyl]guanidine
CID 111621772
1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
CID 111495571
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111233190

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide (CID 111622665) is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)c1ccc(C)cc1)NC1CC1C.I.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The InChIKey is AEPUSUXJDDWHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3.HI/c1-5-18-17(20-16-10-13(16)3)19-11-14(4)15-8-6-12(2)7-9-15;/h6-9,13-14,16H,5,10-11H2,1-4H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide has a molecular weight of 401.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111622665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).