2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine

C15H24N4 — CID 111096491

IUPAC2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine
SMILESCCN(CC/N=C(\N)Nc1ccc(C)cc1)C1CC1
InChIInChI=1S/C15H24N4/c1-3-19(14-8-9-14)11-10-17-15(16)18-13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H3,16,17,18)
InChIKeyLVCVHVNIRNWXEW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.21
Rot. Bonds6

About 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine

2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine (PubChem CID 111096491) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine
PubChem CID111096491
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine
SMILESCCN(CC/N=C(\N)Nc1ccc(C)cc1)C1CC1
InChIInChI=1S/C15H24N4/c1-3-19(14-8-9-14)11-10-17-15(16)18-13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H3,16,17,18)
InChIKeyLVCVHVNIRNWXEW-UHFFFAOYSA-N
XLogP2.21
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111096499
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111096457
1-cyclopropyl-2-[2-[cyclopropyl(ethyl)amino]ethyl]guanidine
CID 103640269
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111099075
1-(4-butan-2-ylphenyl)-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]guanidine
CID 111099212
2-[7-(dimethylamino)heptyl]-1-(4-methylphenyl)guanidine
CID 111084897
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
CID 111096534
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111804118
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine
CID 111099248
2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 79114144
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methylphenyl)guanidine
CID 111078721
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine (CID 111096491) is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine is CCN(CC/N=C(\N)Nc1ccc(C)cc1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine?
The InChIKey is LVCVHVNIRNWXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-19(14-8-9-14)11-10-17-15(16)18-13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine?
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine has a molecular weight of 260.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111096491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).