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

C13H19N3 — CID 62362254

IUPAC2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine
SMILESCc1ccc(C(C)N/C(N)=N/C2CC2)cc1
InChIInChI=1S/C13H19N3/c1-9-3-5-11(6-4-9)10(2)15-13(14)16-12-7-8-12/h3-6,10,12H,7-8H2,1-2H3,(H3,14,15,16)
InChIKeyCVYOQYZUYLGJFN-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.12
Rot. Bonds3

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

2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine (PubChem CID 62362254) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine
PubChem CID62362254
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine
SMILESCc1ccc(C(C)N/C(N)=N/C2CC2)cc1
InChIInChI=1S/C13H19N3/c1-9-3-5-11(6-4-9)10(2)15-13(14)16-12-7-8-12/h3-6,10,12H,7-8H2,1-2H3,(H3,14,15,16)
InChIKeyCVYOQYZUYLGJFN-UHFFFAOYSA-N
XLogP2.12
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.12
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'}

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Related Compounds

1-[1-(4-methylphenyl)ethyl]-2-propylguanidine
CID 62362034
1-[1-(2-chlorophenyl)ethyl]-2-cyclopropylguanidine
CID 62362251
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine
CID 62369078
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949
2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 62364865
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944580
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine?
The IUPAC name of 2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine (CID 62362254) is 2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine?
The canonical SMILES for 2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine is Cc1ccc(C(C)N/C(N)=N/C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine?
The InChIKey is CVYOQYZUYLGJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-3-5-11(6-4-9)10(2)15-13(14)16-12-7-8-12/h3-6,10,12H,7-8H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine?
2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine has a molecular weight of 217.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 62362254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).