2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine

C12H17N3 — CID 119119381

IUPAC2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine
SMILESCc1cccc(N/C(N)=N/C2CC2C)c1
InChIInChI=1S/C12H17N3/c1-8-4-3-5-10(6-8)14-12(13)15-11-7-9(11)2/h3-6,9,11H,7H2,1-2H3,(H3,13,14,15)
InChIKeyPBSBDESKUPGKAH-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.13
Rot. Bonds2

About 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine

2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine (PubChem CID 119119381) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine
PubChem CID119119381
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine
SMILESCc1cccc(N/C(N)=N/C2CC2C)c1
InChIInChI=1S/C12H17N3/c1-8-4-3-5-10(6-8)14-12(13)15-11-7-9(11)2/h3-6,9,11H,7H2,1-2H3,(H3,13,14,15)
InChIKeyPBSBDESKUPGKAH-UHFFFAOYSA-N
XLogP2.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.13
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'}

Analyze 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
1-(3-methylphenyl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111046076
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine
CID 111815308
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111815307
1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine
CID 111069220
1-(3-methylphenyl)-2-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125974
(1E)-2-[4-[[amino-[(E)-[amino-(3-methylanilino)methylidene]amino]methylidene]amino]cyclohexyl]-1-[amino-(3-methylanilino)methylidene]guanidine
CID 176680198
2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine
CID 119152223
2-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-(3-methylphenyl)guanidine;hydroiodide
CID 111822982
1-(3-methylphenyl)-2-spiro[3.4]octan-3-ylguanidine
CID 120514416
1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine
CID 122098888
1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
CID 111822761

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine?
The IUPAC name of 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine (CID 119119381) is 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine?
The canonical SMILES for 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine is Cc1cccc(N/C(N)=N/C2CC2C)c1.
What is the InChIKey of 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine?
The InChIKey is PBSBDESKUPGKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-4-3-5-10(6-8)14-12(13)15-11-7-9(11)2/h3-6,9,11H,7H2,1-2H3,(H3,13,14,15).
What are the key properties of 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine?
2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine has a molecular weight of 203.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 119119381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).