2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine

C13H19N3 — CID 62361894

IUPAC2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine
SMILESCCN(/C(N)=N/C1CC1)c1cccc(C)c1
InChIInChI=1S/C13H19N3/c1-3-16(13(14)15-11-7-8-11)12-6-4-5-10(2)9-12/h4-6,9,11H,3,7-8H2,1-2H3,(H2,14,15)
InChIKeyGAHJDUDYTFPFIY-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.30
Rot. Bonds3

About 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine

2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine (PubChem CID 62361894) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine
PubChem CID62361894
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine
SMILESCCN(/C(N)=N/C1CC1)c1cccc(C)c1
InChIInChI=1S/C13H19N3/c1-3-16(13(14)15-11-7-8-11)12-6-4-5-10(2)9-12/h4-6,9,11H,3,7-8H2,1-2H3,(H2,14,15)
InChIKeyGAHJDUDYTFPFIY-UHFFFAOYSA-N
XLogP2.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
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-cyclopropyl-1-ethyl-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

3-amino-2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine
CID 116513735
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108941153
3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine
CID 115563267
2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine
CID 62362485
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305
4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide
CID 66236049
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62212377
2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid
CID 61206742

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine (CID 62361894) is 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine is CCN(/C(N)=N/C1CC1)c1cccc(C)c1.
What is the InChIKey of 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine?
The InChIKey is GAHJDUDYTFPFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-16(13(14)15-11-7-8-11)12-6-4-5-10(2)9-12/h4-6,9,11H,3,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine?
2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine has a molecular weight of 217.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 62361894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).